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

C16H16BrClN2O — CID 80974170

IUPAC4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)9-12/h3-9,11H,10H2,1-2H3
InChIKeyRPULSXBIABMKNU-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.55
Rot. Bonds4

About 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide

4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 80974170) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID80974170
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-11(2)20(10-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)9-12/h3-9,11H,10H2,1-2H3
InChIKeyRPULSXBIABMKNU-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

4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
3-bromo-2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 103988691
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-amino-1-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 61109144
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 47063377
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide (CID 80974170) is 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is CC(C)N(Cc1ccccn1)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is RPULSXBIABMKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11(2)20(10-13-5-3-4-8-19-13)16(21)12-6-7-14(17)15(18)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 80974170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).