(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide

C22H21ClN2O2 — CID 123701847

IUPAC(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](N)C(=O)N(c1ccc2ccccc2c1)[C@H](C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-15(24)22(27)25(20-11-8-17-4-2-3-5-18(17)13-20)21(14-26)12-16-6-9-19(23)10-7-16/h2-11,13-15,21H,12,24H2,1H3/t15-,21-/m0/s1
InChIKeyLMKQSMUIGIKHMK-BTYIYWSLSA-N
MW380.88 g/mol
LogP3.98
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide

(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide (PubChem CID 123701847) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide
PubChem CID123701847
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](N)C(=O)N(c1ccc2ccccc2c1)[C@H](C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-15(24)22(27)25(20-11-8-17-4-2-3-5-18(17)13-20)21(14-26)12-16-6-9-19(23)10-7-16/h2-11,13-15,21H,12,24H2,1H3/t15-,21-/m0/s1
InChIKeyLMKQSMUIGIKHMK-BTYIYWSLSA-N
XLogP3.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-naphthalen-2-ylethyl)-2-(4-chlorophenyl)propanamide
CID 67746148
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 173310860
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
CID 131699253
benzyl N-(4-chlorophenyl)-N-[(2S)-1-oxopropan-2-yl]carbamate
CID 54159732
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
CID 50894055
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
(2S)-2-amino-N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)propanamide
CID 119327370
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide (CID 123701847) is (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide is C[C@H](N)C(=O)N(c1ccc2ccccc2c1)[C@H](C=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide?
The InChIKey is LMKQSMUIGIKHMK-BTYIYWSLSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-15(24)22(27)25(20-11-8-17-4-2-3-5-18(17)13-20)21(14-26)12-16-6-9-19(23)10-7-16/h2-11,13-15,21H,12,24H2,1H3/t15-,21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide?
(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide has a molecular weight of 380.88 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 123701847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).