N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide

C17H16BrNO2 — CID 112817182

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H16BrNO2/c18-13-5-3-4-12(10-13)11-19(14-8-9-14)17(21)15-6-1-2-7-16(15)20/h1-7,10,14,20H,8-9,11H2
InChIKeyJZYKYCBNFJSKRQ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.96
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide (PubChem CID 112817182) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
PubChem CID112817182
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cc1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H16BrNO2/c18-13-5-3-4-12(10-13)11-19(14-8-9-14)17(21)15-6-1-2-7-16(15)20/h1-7,10,14,20H,8-9,11H2
InChIKeyJZYKYCBNFJSKRQ-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
CID 55858537
N-[(3-bromophenyl)methyl]-2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 41027288
N-[(3-bromophenyl)methyl]-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3794085
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
CID 3824294
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfinylbenzamide
CID 55594001
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-(methoxymethyl)furan-2-carboxamide
CID 78851933
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
CID 119715240
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55583076

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide (CID 112817182) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide is O=C(c1ccccc1O)N(Cc1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide?
The InChIKey is JZYKYCBNFJSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-13-5-3-4-12(10-13)11-19(14-8-9-14)17(21)15-6-1-2-7-16(15)20/h1-7,10,14,20H,8-9,11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide has a molecular weight of 346.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide is sourced from PubChem (CID 112817182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).