(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide

C20H22Cl2N2O3 — CID 56670126

IUPAC(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCO
InChIInChI=1S/C20H22Cl2N2O3/c21-16-6-2-14(3-7-16)12-18(20(27)23-10-1-11-25)24-19(26)13-15-4-8-17(22)9-5-15/h2-9,18,25H,1,10-13H2,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyFJSRYIOGYAKWJT-GOSISDBHSA-N
MW409.31 g/mol
LogP2.76
Rot. Bonds9

About (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide (PubChem CID 56670126) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide
PubChem CID56670126
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCO
InChIInChI=1S/C20H22Cl2N2O3/c21-16-6-2-14(3-7-16)12-18(20(27)23-10-1-11-25)24-19(26)13-15-4-8-17(22)9-5-15/h2-9,18,25H,1,10-13H2,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyFJSRYIOGYAKWJT-GOSISDBHSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
CID 88742419
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193
N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
(2S)-2,3-bis[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 166903417
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]butanamide
CID 59878928
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide (CID 56670126) is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide is O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCCCO.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide?
The InChIKey is FJSRYIOGYAKWJT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c21-16-6-2-14(3-7-16)12-18(20(27)23-10-1-11-25)24-19(26)13-15-4-8-17(22)9-5-15/h2-9,18,25H,1,10-13H2,(H,23,27)(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide?
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide has a molecular weight of 409.31 g/mol, XLogP of 2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 56670126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).