(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide

C16H17ClN2O — CID 25346914

IUPAC(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
SMILESC[C@@H](Nc1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12(19-15-5-3-2-4-6-15)16(20)18-11-13-7-9-14(17)10-8-13/h2-10,12,19H,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyUOOACHRXRAJWGM-GFCCVEGCSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide

(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 25346914) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID25346914
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
SMILESC[C@@H](Nc1ccccc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-12(19-15-5-3-2-4-6-15)16(20)18-11-13-7-9-14(17)10-8-13/h2-10,12,19H,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyUOOACHRXRAJWGM-GFCCVEGCSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
2-(3-amino-5-pyrrol-1-ylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 142039668
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-anilino-N-(cyanomethyl)propanamide
CID 23467229
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide (CID 25346914) is (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide is C[C@@H](Nc1ccccc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is UOOACHRXRAJWGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(19-15-5-3-2-4-6-15)16(20)18-11-13-7-9-14(17)10-8-13/h2-10,12,19H,11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide?
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 288.78 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 25346914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).