2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide

C18H19BrN2O3 — CID 17204993

IUPAC2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-24-12-4-11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-2-3-6-16(15)19/h2-3,5-10H,4,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIHICOOPWXHQOJU-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.47
Rot. Bonds7

About 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide

2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide (PubChem CID 17204993) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
PubChem CID17204993
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-24-12-4-11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-2-3-6-16(15)19/h2-3,5-10H,4,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIHICOOPWXHQOJU-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
2-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218177
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
2-[(2-bromobenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2130928

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide (CID 17204993) is 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide is COCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
The InChIKey is IHICOOPWXHQOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-24-12-4-11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-2-3-6-16(15)19/h2-3,5-10H,4,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide?
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17204993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).