4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C14H18BrClN2O — CID 81005125

IUPAC4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H18BrClN2O/c1-17-6-5-10(8-17)9-18(2)14(19)11-3-4-12(15)13(16)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyKGWDBUZXVYYXKK-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 81005125) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID81005125
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C14H18BrClN2O/c1-17-6-5-10(8-17)9-18(2)14(19)11-3-4-12(15)13(16)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyKGWDBUZXVYYXKK-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 81005125) is 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CN1CCC(CN(C)C(=O)c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is KGWDBUZXVYYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-17-6-5-10(8-17)9-18(2)14(19)11-3-4-12(15)13(16)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 81005125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).