N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide

C20H21BrN2O2 — CID 90010681

IUPACN-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H21BrN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,22,25)(H,23,24)
InChIKeyHFKJIUZNICBOTK-UHFFFAOYSA-N
MW401.30 g/mol
LogP5.22
Rot. Bonds4

About N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide

N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide (PubChem CID 90010681) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
PubChem CID90010681
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H21BrN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,22,25)(H,23,24)
InChIKeyHFKJIUZNICBOTK-UHFFFAOYSA-N
XLogP5.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.30
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(cycloheptanecarbonylamino)benzoic acid
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2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
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CID 56593317
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2-(cyclohexanecarbonylamino)-N-(2-propan-2-ylphenyl)benzamide
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N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The IUPAC name of N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide (CID 90010681) is N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide is O=C(Nc1ccc(Br)cc1)c1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The InChIKey is HFKJIUZNICBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,22,25)(H,23,24).
What are the key properties of N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide has a molecular weight of 401.30 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide is sourced from PubChem (CID 90010681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).