2-amino-3-(2-chloro-3-methylanilino)propanamide

C10H14ClN3O — CID 130495827

IUPAC2-amino-3-(2-chloro-3-methylanilino)propanamide
SMILESCc1cccc(NCC(N)C(N)=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-6-3-2-4-8(9(6)11)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15)
InChIKeyIHZHXGDCLRXEMU-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-3-(2-chloro-3-methylanilino)propanamide

2-amino-3-(2-chloro-3-methylanilino)propanamide (PubChem CID 130495827) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-3-methylanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-chloro-3-methylanilino)propanamide
PubChem CID130495827
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-amino-3-(2-chloro-3-methylanilino)propanamide
SMILESCc1cccc(NCC(N)C(N)=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-6-3-2-4-8(9(6)11)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15)
InChIKeyIHZHXGDCLRXEMU-UHFFFAOYSA-N
XLogP0.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107791301
2-amino-3-(2,6-dichloroanilino)propanamide
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2-amino-3-(2-propylanilino)propanamide
CID 103246191
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
2-amino-3-[2-(methoxymethyl)anilino]propanamide
CID 103247186
2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 113246770
2-amino-3-(2-chloro-6-methylanilino)propanoic acid
CID 103256039
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
(3Z)-3-amino-N-(2-chloro-3-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 114251779
5-[(2-chloro-3-methylanilino)methyl]furan-2-carboxylic acid
CID 114250964

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-3-methylanilino)propanamide?
The IUPAC name of 2-amino-3-(2-chloro-3-methylanilino)propanamide (CID 130495827) is 2-amino-3-(2-chloro-3-methylanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2-chloro-3-methylanilino)propanamide?
The canonical SMILES for 2-amino-3-(2-chloro-3-methylanilino)propanamide is Cc1cccc(NCC(N)C(N)=O)c1Cl.
What is the InChIKey of 2-amino-3-(2-chloro-3-methylanilino)propanamide?
The InChIKey is IHZHXGDCLRXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-3-2-4-8(9(6)11)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-(2-chloro-3-methylanilino)propanamide?
2-amino-3-(2-chloro-3-methylanilino)propanamide has a molecular weight of 227.70 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-3-methylanilino)propanamide is sourced from PubChem (CID 130495827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).