N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide

C31H30FN3O2 — CID 42726048

IUPACN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H30FN3O2/c1-23-13-17-27(18-14-23)34-31(37)35(28-19-15-26(32)16-20-28)22-8-21-33-30(36)29(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-20,29H,8,21-22H2,1H3,(H,33,36)(H,34,37)
InChIKeyPBHJMPGCBOAVDZ-UHFFFAOYSA-N
MW495.60 g/mol
LogP6.51
Rot. Bonds9

About N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide

N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide (PubChem CID 42726048) has the molecular formula C31H30FN3O2 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
PubChem CID42726048
Molecular FormulaC31H30FN3O2
Molecular Weight495.60 g/mol
Exact Mass495.23
IUPAC NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C31H30FN3O2/c1-23-13-17-27(18-14-23)34-31(37)35(28-19-15-26(32)16-20-28)22-8-21-33-30(36)29(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-20,29H,8,21-22H2,1H3,(H,33,36)(H,34,37)
InChIKeyPBHJMPGCBOAVDZ-UHFFFAOYSA-N
XLogP6.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.60
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]-2-phenylbutanamide
CID 42704458
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
N-[2-(N-acetyl-4-methylanilino)ethyl]-2,2-diphenylacetamide
CID 113057558
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
2-chloro-N-[2-[N-[(4-ethoxyphenyl)carbamoyl]-4-fluoroanilino]ethyl]-2-phenylacetamide
CID 42707148

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide (CID 42726048) is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide is Cc1ccc(NC(=O)N(CCCNC(=O)C(c2ccccc2)c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide?
The InChIKey is PBHJMPGCBOAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN3O2/c1-23-13-17-27(18-14-23)34-31(37)35(28-19-15-26(32)16-20-28)22-8-21-33-30(36)29(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-20,29H,8,21-22H2,1H3,(H,33,36)(H,34,37).
What are the key properties of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide?
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide has a molecular weight of 495.60 g/mol, XLogP of 6.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 42726048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).