3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C14H18BrClN2O2 — CID 103841687

IUPAC3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O2/c1-8(2)6-12(14(20)17-3)18-13(19)9-4-5-11(16)10(15)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDCUGGKMKSRJVNX-UHFFFAOYSA-N
MW361.67 g/mol
LogP2.99
Rot. Bonds5

About 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 103841687) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID103841687
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC Name3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O2/c1-8(2)6-12(14(20)17-3)18-13(19)9-4-5-11(16)10(15)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyDCUGGKMKSRJVNX-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55666154
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 103841687) is 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is DCUGGKMKSRJVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c1-8(2)6-12(14(20)17-3)18-13(19)9-4-5-11(16)10(15)7-9/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 361.67 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 103841687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).