4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide

C15H16ClFN4O2 — CID 71920493

IUPAC4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16ClFN4O2/c1-20-7-10(16)6-11(20)8-21(2)15(23)19-13-4-3-9(14(18)22)5-12(13)17/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyYDKYDHDBEMUBSR-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.58
Rot. Bonds4

About 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide

4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide (PubChem CID 71920493) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide
PubChem CID71920493
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Name4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide
SMILESCN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16ClFN4O2/c1-20-7-10(16)6-11(20)8-21(2)15(23)19-13-4-3-9(14(18)22)5-12(13)17/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyYDKYDHDBEMUBSR-UHFFFAOYSA-N
XLogP2.58
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide 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

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-(6-methoxy-3-pyridinyl)-1-methylurea
CID 71920725
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-1-methylurea
CID 97223585
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 60804116
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[(1S,3S)-3-methylsulfanylcyclopentyl]urea
CID 97075370
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431097
N-(4-carbamoyl-2-fluorophenyl)-3-(4-chlorophenyl)-3-hydroxyazetidine-1-carboxamide
CID 154860174
1-(3-amino-2-methylpropyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 54992200
4-[(1-amino-2-methylpropan-2-yl)amino]-3-fluorobenzamide
CID 63194773
3-[[ethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196363
3-(2,4-difluorophenyl)-1-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46457495
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide?
The IUPAC name of 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide (CID 71920493) is 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide?
The canonical SMILES for 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide is CN(Cc1cc(Cl)cn1C)C(=O)Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide?
The InChIKey is YDKYDHDBEMUBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-20-7-10(16)6-11(20)8-21(2)15(23)19-13-4-3-9(14(18)22)5-12(13)17/h3-7H,8H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide?
4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide has a molecular weight of 338.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-1-methylpyrrol-2-yl)methyl-methylcarbamoyl]amino]-3-fluorobenzamide is sourced from PubChem (CID 71920493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).