N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide

C16H12ClFN4O — CID 118711465

IUPACN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[nH]1
InChIInChI=1S/C16H12ClFN4O/c17-12-7-10(3-6-13(12)18)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyVRKVQUDQEWVTDN-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.70
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide (PubChem CID 118711465) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
PubChem CID118711465
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
SMILESNc1ncc(-c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[nH]1
InChIInChI=1S/C16H12ClFN4O/c17-12-7-10(3-6-13(12)18)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22)
InChIKeyVRKVQUDQEWVTDN-UHFFFAOYSA-N
XLogP3.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide;hydrochloride
CID 118711440
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
CID 118711467
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 118711458
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
CID 162650698
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide (CID 118711465) is N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide is Nc1ncc(-c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide?
The InChIKey is VRKVQUDQEWVTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-12-7-10(3-6-13(12)18)15(23)21-11-4-1-9(2-5-11)14-8-20-16(19)22-14/h1-8H,(H,21,23)(H3,19,20,22).
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide?
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide has a molecular weight of 330.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 118711465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).