3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide

C16H14BrClN2O — CID 103981557

IUPAC3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1Cl)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-6-3-5-13(15(14)18)16(21)20(12-7-8-12)10-11-4-1-2-9-19-11/h1-6,9,12H,7-8,10H2
InChIKeyMMLMVNATGJMYFU-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.30
Rot. Bonds4

About 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide

3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 103981557) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID103981557
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1Cl)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-6-3-5-13(15(14)18)16(21)20(12-7-8-12)10-11-4-1-2-9-19-11/h1-6,9,12H,7-8,10H2
InChIKeyMMLMVNATGJMYFU-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 103988691
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-cyclopropyl-5-ethyl-2-hydroxy-N-(pyridin-2-ylmethyl)benzamide
CID 126766249
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
2-amino-N-cyclopropyl-6-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 61113549
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide (CID 103981557) is 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(Br)c1Cl)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MMLMVNATGJMYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-14-6-3-5-13(15(14)18)16(21)20(12-7-8-12)10-11-4-1-2-9-19-11/h1-6,9,12H,7-8,10H2.
What are the key properties of 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide?
3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 365.66 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 103981557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).