N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide

C19H20BrNO3 — CID 55583180

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-23-17-9-6-14(11-18(17)24-2)19(22)21(16-7-8-16)12-13-4-3-5-15(20)10-13/h3-6,9-11,16H,7-8,12H2,1-2H3
InChIKeyATPQBZXAJDQBFQ-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.27
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide (PubChem CID 55583180) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
PubChem CID55583180
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-23-17-9-6-14(11-18(17)24-2)19(22)21(16-7-8-16)12-13-4-3-5-15(20)10-13/h3-6,9-11,16H,7-8,12H2,1-2H3
InChIKeyATPQBZXAJDQBFQ-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfinylbenzamide
CID 55594001
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3518167
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[2-[[2-(3-bromophenyl)acetyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935128
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
CID 78851933
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide (CID 55583180) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1OC.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide?
The InChIKey is ATPQBZXAJDQBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-17-9-6-14(11-18(17)24-2)19(22)21(16-7-8-16)12-13-4-3-5-15(20)10-13/h3-6,9-11,16H,7-8,12H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide has a molecular weight of 390.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 55583180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).