N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide

C21H27FN4O2 — CID 55699014

IUPACN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C21H27FN4O2/c1-14(2)20(27)24-17-8-10-18(11-9-17)25-21(28)23-13-19(26(3)4)15-6-5-7-16(22)12-15/h5-12,14,19H,13H2,1-4H3,(H,24,27)(H2,23,25,28)
InChIKeyHDQDVZFEJZPZDV-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.84
Rot. Bonds7

About N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide

N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 55699014) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
PubChem CID55699014
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C21H27FN4O2/c1-14(2)20(27)24-17-8-10-18(11-9-17)25-21(28)23-13-19(26(3)4)15-6-5-7-16(22)12-15/h5-12,14,19H,13H2,1-4H3,(H,24,27)(H2,23,25,28)
InChIKeyHDQDVZFEJZPZDV-UHFFFAOYSA-N
XLogP3.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide 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-chloro-4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]-N-methylbenzamide
CID 60543539
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55337191
1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 60569463
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbutanamide
CID 30526386
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
(2S)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94068188

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide (CID 55699014) is N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)NCC(c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is HDQDVZFEJZPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-14(2)20(27)24-17-8-10-18(11-9-17)25-21(28)23-13-19(26(3)4)15-6-5-7-16(22)12-15/h5-12,14,19H,13H2,1-4H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide?
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 386.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55699014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).