2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide

C18H17BrN2O3 — CID 42470780

IUPAC2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H17BrN2O3/c1-24-14-8-9-16(19)15(10-14)18(23)21-13-6-4-12(5-7-13)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyBUZYWUSRJMVAQI-UHFFFAOYSA-N
MW389.25 g/mol
LogP4.06
Rot. Bonds5

About 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide

2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide (PubChem CID 42470780) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
PubChem CID42470780
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H17BrN2O3/c1-24-14-8-9-16(19)15(10-14)18(23)21-13-6-4-12(5-7-13)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyBUZYWUSRJMVAQI-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide (CID 42470780) is 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide?
The InChIKey is BUZYWUSRJMVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-24-14-8-9-16(19)15(10-14)18(23)21-13-6-4-12(5-7-13)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide?
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide has a molecular weight of 389.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 42470780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).