N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide

C30H26F2N2O3 — CID 142841286

IUPACN-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide
SMILESC=CC(F)(F)c1ccc(CC(NC(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)C(N)=O)cc1
InChIInChI=1S/C30H26F2N2O3/c1-2-30(31,32)25-13-8-20(9-14-25)16-27(28(33)35)34-29(36)24-11-10-23-18-26(15-12-22(23)17-24)37-19-21-6-4-3-5-7-21/h2-15,17-18,27H,1,16,19H2,(H2,33,35)(H,34,36)
InChIKeyNTEPRHTVQQQNSZ-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.52
Rot. Bonds10

About N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide

N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide (PubChem CID 142841286) has the molecular formula C30H26F2N2O3 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide
PubChem CID142841286
Molecular FormulaC30H26F2N2O3
Molecular Weight500.55 g/mol
Exact Mass500.19
IUPAC NameN-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide
SMILESC=CC(F)(F)c1ccc(CC(NC(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)C(N)=O)cc1
InChIInChI=1S/C30H26F2N2O3/c1-2-30(31,32)25-13-8-20(9-14-25)16-27(28(33)35)34-29(36)24-11-10-23-18-26(15-12-22(23)17-24)37-19-21-6-4-3-5-7-21/h2-15,17-18,27H,1,16,19H2,(H2,33,35)(H,34,36)
InChIKeyNTEPRHTVQQQNSZ-UHFFFAOYSA-N
XLogP5.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
2-[[6-[(4-chlorophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677412
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
2-[[6-[(4-bromophenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677460
2-[[6-[(3,5-dimethylphenyl)methoxy]naphthalene-2-carbonyl]amino]-3-phenylpropanoic acid
CID 58677437
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065478
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
methyl 2-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide?
The IUPAC name of N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide (CID 142841286) is N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide is C=CC(F)(F)c1ccc(CC(NC(=O)c2ccc3cc(OCc4ccccc4)ccc3c2)C(N)=O)cc1.
What is the InChIKey of N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide?
The InChIKey is NTEPRHTVQQQNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N2O3/c1-2-30(31,32)25-13-8-20(9-14-25)16-27(28(33)35)34-29(36)24-11-10-23-18-26(15-12-22(23)17-24)37-19-21-6-4-3-5-7-21/h2-15,17-18,27H,1,16,19H2,(H2,33,35)(H,34,36).
What are the key properties of N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide?
N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 5.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-oxopropan-2-yl]-6-phenylmethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 142841286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).