2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H16BrClN2O2 — CID 113257280

IUPAC2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(15)7-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGKECOPVZKNLUTC-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.75
Rot. Bonds5

About 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 113257280) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID113257280
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(15)7-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGKECOPVZKNLUTC-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
methyl 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 113257280) is 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is GKECOPVZKNLUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(15)7-11(10)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 347.64 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 113257280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).