(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide

C16H23ClN2O — CID 9400895

IUPAC(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Nc1cccc(Cl)c1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12(19-15-9-5-8-14(17)10-15)16(20)18-11-13-6-3-2-4-7-13/h5,8-10,12-13,19H,2-4,6-7,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyBQLDYQVUSSVSAA-GFCCVEGCSA-N
MW294.83 g/mol
LogP3.84
Rot. Bonds5

About (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide

(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide (PubChem CID 9400895) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide
PubChem CID9400895
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Nc1cccc(Cl)c1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12(19-15-9-5-8-14(17)10-15)16(20)18-11-13-6-3-2-4-7-13/h5,8-10,12-13,19H,2-4,6-7,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyBQLDYQVUSSVSAA-GFCCVEGCSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
methyl 2-(3-chloroanilino)-2-cyclohexylpropanoate
CID 63524098
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide (CID 9400895) is (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide is C[C@@H](Nc1cccc(Cl)c1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide?
The InChIKey is BQLDYQVUSSVSAA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(19-15-9-5-8-14(17)10-15)16(20)18-11-13-6-3-2-4-7-13/h5,8-10,12-13,19H,2-4,6-7,11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide?
(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 9400895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).