2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide

C20H22FN3O2 — CID 51118701

IUPAC2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C20H22FN3O2/c1-23(2)19(25)17-8-3-4-9-18(17)22-20(26)24(16-10-11-16)13-14-6-5-7-15(21)12-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyJASLFRSAKYNPGU-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.72
Rot. Bonds5

About 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide

2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide (PubChem CID 51118701) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide
PubChem CID51118701
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C20H22FN3O2/c1-23(2)19(25)17-8-3-4-9-18(17)22-20(26)24(16-10-11-16)13-14-6-5-7-15(21)12-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyJASLFRSAKYNPGU-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide 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-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
1-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56584064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
N-cyclopropyl-3-(ethylamino)-N-[(3-fluorophenyl)methyl]butanamide
CID 62838324
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
3-(tert-butylamino)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
CID 60938458
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 55593568
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 40643491
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide (CID 51118701) is 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is JASLFRSAKYNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(2)19(25)17-8-3-4-9-18(17)22-20(26)24(16-10-11-16)13-14-6-5-7-15(21)12-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,22,26).
What are the key properties of 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide?
2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 51118701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).