N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C21H31FN2O3 — CID 119040284

IUPACN-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(CO)CC1CCCC1
InChIInChI=1S/C21H31FN2O3/c1-14(2)19(24-20(26)17-9-5-6-10-18(17)22)21(27)23-12-16(13-25)11-15-7-3-4-8-15/h5-6,9-10,14-16,19,25H,3-4,7-8,11-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXBUZBVZKFHENKQ-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.89
Rot. Bonds9

About N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 119040284) has the molecular formula C21H31FN2O3 and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
PubChem CID119040284
Molecular FormulaC21H31FN2O3
Molecular Weight378.49 g/mol
Exact Mass378.23
IUPAC NameN-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(CO)CC1CCCC1
InChIInChI=1S/C21H31FN2O3/c1-14(2)19(24-20(26)17-9-5-6-10-18(17)22)21(27)23-12-16(13-25)11-15-7-3-4-8-15/h5-6,9-10,14-16,19,25H,3-4,7-8,11-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyXBUZBVZKFHENKQ-UHFFFAOYSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide 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

2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
2-fluoro-N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]benzamide
CID 119386986
N-[1-[(4-aminocyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide;hydrochloride
CID 119475606
2-fluoro-N-[3-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)butan-2-yl]benzamide
CID 119445980
N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150484
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
2-fluoro-N-[1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46447828
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134023150
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide;hydrochloride
CID 119548063
2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523234
N-[1-[(5-chlorothiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55587983

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 119040284) is N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)NCC(CO)CC1CCCC1.
What is the InChIKey of N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The InChIKey is XBUZBVZKFHENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3/c1-14(2)19(24-20(26)17-9-5-6-10-18(17)22)21(27)23-12-16(13-25)11-15-7-3-4-8-15/h5-6,9-10,14-16,19,25H,3-4,7-8,11-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 378.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 119040284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).