N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide

C27H35FN4O4 — CID 171618452

IUPACN-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCC(CCCNC(=O)c1ccccc1)NC(=O)NC1(c2ccc(F)cc2)CCCCC1)NO
InChIInChI=1S/C27H35FN4O4/c28-22-13-11-21(12-14-22)27(17-5-2-6-18-27)31-26(35)30-23(15-16-24(33)32-36)10-7-19-29-25(34)20-8-3-1-4-9-20/h1,3-4,8-9,11-14,23,36H,2,5-7,10,15-19H2,(H,29,34)(H,32,33)(H2,30,31,35)
InChIKeyFGSVDPXDMIWKQQ-UHFFFAOYSA-N
MW498.60 g/mol
LogP4.15
Rot. Bonds11

About N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide

N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide (PubChem CID 171618452) has the molecular formula C27H35FN4O4 and a molecular weight of 498.60 g/mol. Its IUPAC name is N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound NameN-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide
PubChem CID171618452
Molecular FormulaC27H35FN4O4
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC NameN-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide
SMILESO=C(CCC(CCCNC(=O)c1ccccc1)NC(=O)NC1(c2ccc(F)cc2)CCCCC1)NO
InChIInChI=1S/C27H35FN4O4/c28-22-13-11-21(12-14-22)27(17-5-2-6-18-27)31-26(35)30-23(15-16-24(33)32-36)10-7-19-29-25(34)20-8-3-1-4-9-20/h1,3-4,8-9,11-14,23,36H,2,5-7,10,15-19H2,(H,29,34)(H,32,33)(H2,30,31,35)
InChIKeyFGSVDPXDMIWKQQ-UHFFFAOYSA-N
XLogP4.15
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
N-[3-oxo-3-[(1-phenylcyclopentyl)amino]propyl]pyridine-4-carboxamide
CID 75371465
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
2-[(1-phenylcyclopentyl)carbamoylamino]propanoic acid
CID 110490888
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide?
The IUPAC name of N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide (CID 171618452) is N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide?
The canonical SMILES for N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide is O=C(CCC(CCCNC(=O)c1ccccc1)NC(=O)NC1(c2ccc(F)cc2)CCCCC1)NO.
What is the InChIKey of N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide?
The InChIKey is FGSVDPXDMIWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O4/c28-22-13-11-21(12-14-22)27(17-5-2-6-18-27)31-26(35)30-23(15-16-24(33)32-36)10-7-19-29-25(34)20-8-3-1-4-9-20/h1,3-4,8-9,11-14,23,36H,2,5-7,10,15-19H2,(H,29,34)(H,32,33)(H2,30,31,35).
What are the key properties of N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide?
N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide has a molecular weight of 498.60 g/mol, XLogP of 4.15, 11 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-fluorophenyl)cyclohexyl]carbamoylamino]-7-(hydroxyamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 171618452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).