4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide

C14H18FN3O2 — CID 62680438

IUPAC4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
SMILESNC(=O)C1CCC(NC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c15-11-7-9(3-6-12(11)16)14(20)18-10-4-1-8(2-5-10)13(17)19/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20)
InChIKeyBRXYYAFBVDXWGI-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.18
Rot. Bonds3

About 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide

4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide (PubChem CID 62680438) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
PubChem CID62680438
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
SMILESNC(=O)C1CCC(NC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c15-11-7-9(3-6-12(11)16)14(20)18-10-4-1-8(2-5-10)13(17)19/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20)
InChIKeyBRXYYAFBVDXWGI-UHFFFAOYSA-N
XLogP1.18
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.18
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

4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
cis-(1R,3S)-3-[(4-amino-3-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106322664
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide (CID 62680438) is 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide is NC(=O)C1CCC(NC(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide?
The InChIKey is BRXYYAFBVDXWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-7-9(3-6-12(11)16)14(20)18-10-4-1-8(2-5-10)13(17)19/h3,6-8,10H,1-2,4-5,16H2,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide?
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide has a molecular weight of 279.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide is sourced from PubChem (CID 62680438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).