N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide

C19H22FN3O2 — CID 86987897

IUPACN-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-12(2)18(24)22-15-5-7-16(8-6-15)23-19(25)21-11-14-4-9-17(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyOHPYTGUBBKRJLT-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.05
Rot. Bonds5

About N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide

N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 86987897) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
PubChem CID86987897
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-12(2)18(24)22-15-5-7-16(8-6-15)23-19(25)21-11-14-4-9-17(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyOHPYTGUBBKRJLT-UHFFFAOYSA-N
XLogP4.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[[N-[(4-fluoro-3-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111852949
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185958
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
CID 86993800
2-(dimethylamino)-N-[3-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]-2-methylphenyl]acetamide
CID 72933670
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 167989757

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide (CID 86987897) is N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide is Cc1cc(CNC(=O)Nc2ccc(NC(=O)C(C)C)cc2)ccc1F.
What is the InChIKey of N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is OHPYTGUBBKRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12(2)18(24)22-15-5-7-16(8-6-15)23-19(25)21-11-14-4-9-17(20)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide?
N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 86987897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).