N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide

C19H31FN4O2 — CID 118768916

IUPACN-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(NC(=O)NCCN(C(C)C)C(C)C)ccc1F
InChIInChI=1S/C19H31FN4O2/c1-12(2)18(25)23-17-11-15(7-8-16(17)20)22-19(26)21-9-10-24(13(3)4)14(5)6/h7-8,11-14H,9-10H2,1-6H3,(H,23,25)(H2,21,22,26)
InChIKeyYAIHDMOJKRZBPW-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.66
Rot. Bonds8

About N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide

N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide (PubChem CID 118768916) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
PubChem CID118768916
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC NameN-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(NC(=O)NCCN(C(C)C)C(C)C)ccc1F
InChIInChI=1S/C19H31FN4O2/c1-12(2)18(25)23-17-11-15(7-8-16(17)20)22-19(26)21-9-10-24(13(3)4)14(5)6/h7-8,11-14H,9-10H2,1-6H3,(H,23,25)(H2,21,22,26)
InChIKeyYAIHDMOJKRZBPW-UHFFFAOYSA-N
XLogP3.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-[2-(5-methylfuran-2-yl)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 118785479
N-[2-fluoro-5-[2-(2-methylphenoxy)ethylcarbamoylamino]phenyl]-2-methylpropanamide
CID 72873722
N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118782816
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2,4,5-trichlorophenyl)urea
CID 3793691
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987897
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide (CID 118768916) is N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(NC(=O)NCCN(C(C)C)C(C)C)ccc1F.
What is the InChIKey of N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is YAIHDMOJKRZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-12(2)18(25)23-17-11-15(7-8-16(17)20)22-19(26)21-9-10-24(13(3)4)14(5)6/h7-8,11-14H,9-10H2,1-6H3,(H,23,25)(H2,21,22,26).
What are the key properties of N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide?
N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 366.48 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 118768916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).