(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide

C16H17ClN2O — CID 2608999

IUPAC(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](NCc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-12(18-11-13-6-3-2-4-7-13)16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyBIVRYKMNSYIJCI-GFCCVEGCSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds5

About (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide

(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide (PubChem CID 2608999) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
PubChem CID2608999
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](NCc1ccccc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-12(18-11-13-6-3-2-4-7-13)16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyBIVRYKMNSYIJCI-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

2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
2-(butylamino)-N-(3-chlorophenyl)propanamide
CID 3069643
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
(2R)-2-[benzylcarbamothioyl(propyl)amino]-N-(3-chlorophenyl)propanamide
CID 8771548

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide (CID 2608999) is (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide is C[C@@H](NCc1ccccc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide?
The InChIKey is BIVRYKMNSYIJCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12(18-11-13-6-3-2-4-7-13)16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-N-(3-chlorophenyl)propanamide?
(2R)-2-(benzylamino)-N-(3-chlorophenyl)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-(benzylamino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 2608999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).