4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide

C20H21ClFN3O2 — CID 119711617

IUPAC4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C20H21ClFN3O2/c21-16-10-13(23)6-8-15(16)20(27)24-14-7-9-17(22)18(11-14)25-19(26)12-4-2-1-3-5-12/h6-12H,1-5,23H2,(H,24,27)(H,25,26)
InChIKeyCTIRDGVFJCCXAN-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.83
Rot. Bonds4

About 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide

4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide (PubChem CID 119711617) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
PubChem CID119711617
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C20H21ClFN3O2/c21-16-10-13(23)6-8-15(16)20(27)24-14-7-9-17(22)18(11-14)25-19(26)12-4-2-1-3-5-12/h6-12H,1-5,23H2,(H,24,27)(H,25,26)
InChIKeyCTIRDGVFJCCXAN-UHFFFAOYSA-N
XLogP4.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide (CID 119711617) is 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide?
The InChIKey is CTIRDGVFJCCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-10-13(23)6-8-15(16)20(27)24-14-7-9-17(22)18(11-14)25-19(26)12-4-2-1-3-5-12/h6-12H,1-5,23H2,(H,24,27)(H,25,26).
What are the key properties of 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide?
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide has a molecular weight of 389.86 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide is sourced from PubChem (CID 119711617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).