N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide

C18H28FN3O2 — CID 119605802

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1F
InChIInChI=1S/C18H28FN3O2/c1-11(2)8-16(23)21-15-7-6-13(9-14(15)19)17(24)22-18(5,10-20)12(3)4/h6-7,9,11-12H,8,10,20H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyNDDYAMXXMGDCBI-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.91
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide (PubChem CID 119605802) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
PubChem CID119605802
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1F
InChIInChI=1S/C18H28FN3O2/c1-11(2)8-16(23)21-15-7-6-13(9-14(15)19)17(24)22-18(5,10-20)12(3)4/h6-7,9,11-12H,8,10,20H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyNDDYAMXXMGDCBI-UHFFFAOYSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)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

N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
N-[(2S)-1-aminopropan-2-yl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 120506377
3-ethyl-3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120532640
(2S)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 99776333
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119600964
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
(2R)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]-2-phenylacetic acid
CID 119367801
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]thiolane-3-carboxylic acid
CID 120531535
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide (CID 119605802) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)NC(C)(CN)C(C)C)cc1F.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The InChIKey is NDDYAMXXMGDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-11(2)8-16(23)21-15-7-6-13(9-14(15)19)17(24)22-18(5,10-20)12(3)4/h6-7,9,11-12H,8,10,20H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide has a molecular weight of 337.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 119605802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).