N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide

C24H37FN4O3 — CID 70940511

IUPACN-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide
SMILESCC(N)(CCO)C(=O)CNC(=O)c1cc(F)c(NC2CCCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H37FN4O3/c1-24(26,11-12-30)22(31)15-27-23(32)18-13-19(25)21(29-17-7-3-2-4-8-17)14-20(18)28-16-9-5-6-10-16/h13-14,16-17,28-30H,2-12,15,26H2,1H3,(H,27,32)
InChIKeyMJJBOAXNKUTUBM-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.32
Rot. Bonds10

About N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide

N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide (PubChem CID 70940511) has the molecular formula C24H37FN4O3 and a molecular weight of 448.58 g/mol. Its IUPAC name is N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide
PubChem CID70940511
Molecular FormulaC24H37FN4O3
Molecular Weight448.58 g/mol
Exact Mass448.28
IUPAC NameN-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide
SMILESCC(N)(CCO)C(=O)CNC(=O)c1cc(F)c(NC2CCCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H37FN4O3/c1-24(26,11-12-30)22(31)15-27-23(32)18-13-19(25)21(29-17-7-3-2-4-8-17)14-20(18)28-16-9-5-6-10-16/h13-14,16-17,28-30H,2-12,15,26H2,1H3,(H,27,32)
InChIKeyMJJBOAXNKUTUBM-UHFFFAOYSA-N
XLogP3.32
TPSA116.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide with MolForge

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Related Compounds

2-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]prop-2-enoic acid
CID 89119398
4-[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]-2-ethylbutanoic acid
CID 70940471
4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluoro-N-[[(2S)-5-oxooxolan-2-yl]methyl]benzamide
CID 70940427
ethyl 4-[[2-(cyclopentylamino)-4-(cyclopropylmethylamino)-5-fluorobenzoyl]amino]butanoate
CID 70940522
2-[3-[[[4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzoyl]amino]methyl]phenoxy]acetic acid
CID 70940444
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
5-(cycloheptylamino)-2,4-difluorobenzoic acid
CID 43737089
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
6-bromo-4-(cyclohexylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146415703
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
CID 82933880

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide?
The IUPAC name of N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide (CID 70940511) is N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide.
What is the SMILES notation for N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide?
The canonical SMILES for N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide is CC(N)(CCO)C(=O)CNC(=O)c1cc(F)c(NC2CCCCC2)cc1NC1CCCC1.
What is the InChIKey of N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide?
The InChIKey is MJJBOAXNKUTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O3/c1-24(26,11-12-30)22(31)15-27-23(32)18-13-19(25)21(29-17-7-3-2-4-8-17)14-20(18)28-16-9-5-6-10-16/h13-14,16-17,28-30H,2-12,15,26H2,1H3,(H,27,32).
What are the key properties of N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide?
N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide has a molecular weight of 448.58 g/mol, XLogP of 3.32, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-hydroxy-3-methyl-2-oxopentyl)-4-(cyclohexylamino)-2-(cyclopentylamino)-5-fluorobenzamide is sourced from PubChem (CID 70940511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).