N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide

C14H16FN3O — CID 100824986

IUPACN,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O/c1-3-17(4-2)14(19)13-9-18(10-16-13)12-7-5-11(15)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyGTUUMTCFCJBHPV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.49
Rot. Bonds4

About N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide

N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 100824986) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID100824986
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O/c1-3-17(4-2)14(19)13-9-18(10-16-13)12-7-5-11(15)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyGTUUMTCFCJBHPV-UHFFFAOYSA-N
XLogP2.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide 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

Imidazole-4-carboxanilide
CID 312385
2-anilino-9-[4-(dimethylamino)butyl]-1H-purin-6-one
CID 135489188
2-anilino-9-[4-[ethyl(methyl)amino]butyl]-1H-purin-6-one
CID 135497108
2-anilino-9-[4-(diethylamino)butyl]-1H-purin-6-one
CID 135497121
2-anilino-9-[4-(diallylamino)butyl]-1H-purin-6-one
CID 135499906
9-Phenylguanine
CID 135415592
1-(2-bromoethyl)-N-phenyl-1H-imidazole-4-carboxamide
CID 1240012
(4-methylpiperazino)[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]methanone
CID 1472420
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
9-Allyl-2-anilino-purin-6-ol
CID 135435444
N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 24828313
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 24828314

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide (CID 100824986) is N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccc(F)cc2)cn1.
What is the InChIKey of N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is GTUUMTCFCJBHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-17(4-2)14(19)13-9-18(10-16-13)12-7-5-11(15)6-8-12/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide?
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 100824986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).