N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C21H21ClN2O — CID 9397735

IUPACN-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C21H21ClN2O/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)23-14-21(25)24-13-16-6-4-9-18(22)12-16/h2-12,15,23H,13-14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJISHUVSBZNNOGG-HNNXBMFYSA-N
MW352.87 g/mol
LogP4.46
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 9397735) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID9397735
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C21H21ClN2O/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)23-14-21(25)24-13-16-6-4-9-18(22)12-16/h2-12,15,23H,13-14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyJISHUVSBZNNOGG-HNNXBMFYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
N-[2-(3-chlorophenyl)ethyl]-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18088218
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 9397735) is N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is C[C@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is JISHUVSBZNNOGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)23-14-21(25)24-13-16-6-4-9-18(22)12-16/h2-12,15,23H,13-14H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 352.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 9397735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).