3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

C16H16BrClN2O — CID 103988691

IUPAC3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)13-7-5-8-14(17)15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyPIPLRWPXDSFXNP-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.55
Rot. Bonds4

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

3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 103988691) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID103988691
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)13-7-5-8-14(17)15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyPIPLRWPXDSFXNP-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
3-bromo-2-chloro-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 103981557
4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 61109144
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (CID 103988691) is 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is CC(C)N(Cc1ccccn1)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PIPLRWPXDSFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11(2)20(10-12-6-3-4-9-19-12)16(21)13-7-5-8-14(17)15(13)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 367.67 g/mol, XLogP of 4.55, 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-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 103988691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).