N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide

C21H21ClN2O — CID 67746148

IUPACN-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide
SMILESCC(C(=O)NC(N)Cc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O/c1-14(16-8-10-19(22)11-9-16)21(25)24-20(23)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12,14,20H,13,23H2,1H3,(H,24,25)
InChIKeySPGYVFMDFSEJKD-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.24
Rot. Bonds5

About N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide

N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide (PubChem CID 67746148) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide
PubChem CID67746148
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide
SMILESCC(C(=O)NC(N)Cc1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O/c1-14(16-8-10-19(22)11-9-16)21(25)24-20(23)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12,14,20H,13,23H2,1H3,(H,24,25)
InChIKeySPGYVFMDFSEJKD-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
2-naphthalen-2-ylpropanehydrazide
CID 116843954
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 173310860
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide?
The IUPAC name of N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide (CID 67746148) is N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide is CC(C(=O)NC(N)Cc1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide?
The InChIKey is SPGYVFMDFSEJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-14(16-8-10-19(22)11-9-16)21(25)24-20(23)13-15-6-7-17-4-2-3-5-18(17)12-15/h2-12,14,20H,13,23H2,1H3,(H,24,25).
What are the key properties of N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide?
N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide has a molecular weight of 352.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide is sourced from PubChem (CID 67746148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).