N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide

C18H19BrN2O2 — CID 30877774

IUPACN-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-21(13-14-7-9-16(19)10-8-14)17(22)11-12-20-18(23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyIAVWXMHHJFSYIO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.23
Rot. Bonds6

About N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide

N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 30877774) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
PubChem CID30877774
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-21(13-14-7-9-16(19)10-8-14)17(22)11-12-20-18(23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyIAVWXMHHJFSYIO-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
CID 78770733
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[2-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-4-bromobenzamide;hydroiodide
CID 110951961
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide (CID 30877774) is N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide is CN(Cc1ccc(Br)cc1)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is IAVWXMHHJFSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-21(13-14-7-9-16(19)10-8-14)17(22)11-12-20-18(23)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide?
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 30877774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).