N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide

C20H21BrN2O2 — CID 56593333

IUPACN-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
InChIKeyLDWIBUXEMKKIJJ-UHFFFAOYSA-N
MW401.30 g/mol
LogP5.22
Rot. Bonds4

About N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide

N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide (PubChem CID 56593333) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
PubChem CID56593333
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC NameN-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)
InChIKeyLDWIBUXEMKKIJJ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide (CID 56593333) is N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide is O=C(Nc1cccc(Br)c1)c1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
The InChIKey is LDWIBUXEMKKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24).
What are the key properties of N-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide?
N-(3-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-(3-bromophenyl)-2-(cyclohexanecarbonylamino)benzamide is sourced from PubChem (CID 56593333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).