2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide

C12H15BrClN3O2 — CID 103478867

IUPAC2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClN3O2/c1-3-15-12(19)17-11(18)7(2)16-9-6-4-5-8(14)10(9)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyZHJVNKZKVYVUFM-UHFFFAOYSA-N
MW348.63 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide

2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 103478867) has the molecular formula C12H15BrClN3O2 and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID103478867
Molecular FormulaC12H15BrClN3O2
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC Name2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClN3O2/c1-3-15-12(19)17-11(18)7(2)16-9-6-4-5-8(14)10(9)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyZHJVNKZKVYVUFM-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
CID 60679283
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
CID 94796277
ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
CID 47068847
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide (CID 103478867) is 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is ZHJVNKZKVYVUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O2/c1-3-15-12(19)17-11(18)7(2)16-9-6-4-5-8(14)10(9)13/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide?
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 348.63 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 103478867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).