3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

C16H15BrClNO2 — CID 103975419

IUPAC3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-19(10-11-5-3-6-12(9-11)21-2)16(20)13-7-4-8-14(17)15(13)18/h3-9H,10H2,1-2H3
InChIKeyYBZCKCJQAMYNNO-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.38
Rot. Bonds4

About 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 103975419) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID103975419
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C16H15BrClNO2/c1-19(10-11-5-3-6-12(9-11)21-2)16(20)13-7-4-8-14(17)15(13)18/h3-9H,10H2,1-2H3
InChIKeyYBZCKCJQAMYNNO-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 9112314
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 103975419) is 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cccc(Br)c2Cl)c1.
What is the InChIKey of 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is YBZCKCJQAMYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-19(10-11-5-3-6-12(9-11)21-2)16(20)13-7-4-8-14(17)15(13)18/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.38, 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-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103975419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).