2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate

C22H21ClN2O3 — CID 6735881

IUPAC2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCCc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H21ClN2O3/c1-15(24-22(27)28-12-11-16-5-4-8-19(23)13-16)21(26)25-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-15H,11-12H2,1H3,(H,24,27)(H,25,26)
InChIKeyAQJKLFSTIGCSNI-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.79
Rot. Bonds6

About 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate

2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 6735881) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
PubChem CID6735881
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCCc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H21ClN2O3/c1-15(24-22(27)28-12-11-16-5-4-8-19(23)13-16)21(26)25-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-15H,11-12H2,1H3,(H,24,27)(H,25,26)
InChIKeyAQJKLFSTIGCSNI-UHFFFAOYSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine
CID 70275764
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
CID 2608999
benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 124587468
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
(2S)-2-[3-(3-chlorophenyl)propoxycarbonylamino]-4-methylpentanoic acid
CID 166169841
benzyl N-[1-(2-amino-4-chloroanilino)-1-oxopropan-2-yl]carbamate
CID 59848583
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
benzyl N-[2-[[2-[[(2R)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 129361447

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate (CID 6735881) is 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCCc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is AQJKLFSTIGCSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-15(24-22(27)28-12-11-16-5-4-8-19(23)13-16)21(26)25-20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-15H,11-12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 396.87 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 6735881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).