(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide

C13H17ClN2O — CID 67518777

IUPAC(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
SMILESNC(=O)[C@H](CNCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)12(13(15)17)8-16-7-9-1-2-9/h3-6,9,12,16H,1-2,7-8H2,(H2,15,17)/t12-/m1/s1
InChIKeyQESHLIZOKNNDGW-GFCCVEGCSA-N
MW252.75 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide

(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide (PubChem CID 67518777) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
PubChem CID67518777
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
SMILESNC(=O)[C@H](CNCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)12(13(15)17)8-16-7-9-1-2-9/h3-6,9,12,16H,1-2,7-8H2,(H2,15,17)/t12-/m1/s1
InChIKeyQESHLIZOKNNDGW-GFCCVEGCSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chloro-2-fluorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518749
(2S)-2-(4-chlorophenyl)-3-(2-fluoroethylamino)propanamide
CID 87430250
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
(2R)-2-(4-chlorophenyl)-3-(4-fluoropiperidin-1-yl)propanamide
CID 67518927
4-(cyclopropylmethylamino)-3-[4-(trifluoromethyl)phenyl]butan-2-one;ethane
CID 143607227
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
CID 66617993
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
2-(4-chlorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 67518773
2-(4-chlorophenyl)-3-(cyclopropylmethylamino)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 67339079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide (CID 67518777) is (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide is NC(=O)[C@H](CNCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide?
The InChIKey is QESHLIZOKNNDGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)12(13(15)17)8-16-7-9-1-2-9/h3-6,9,12,16H,1-2,7-8H2,(H2,15,17)/t12-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide?
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide has a molecular weight of 252.75 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide is sourced from PubChem (CID 67518777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).