3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide

C10H10BrCl2NO — CID 107993829

IUPAC3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)7-2-3-9(13)8(11)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeySZASPNIYHBDZDH-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.46
Rot. Bonds3

About 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide (PubChem CID 107993829) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
PubChem CID107993829
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC Name3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)7-2-3-9(13)8(11)4-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeySZASPNIYHBDZDH-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-bromo-N-(1-chloropropan-2-yl)-4-methoxybenzamide
CID 114299525
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3-bromo-4-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 113329868

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide (CID 107993829) is 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide is CC(CCl)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide?
The InChIKey is SZASPNIYHBDZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)7-2-3-9(13)8(11)4-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide?
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide has a molecular weight of 311.01 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide is sourced from PubChem (CID 107993829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).