N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride

C16H12Cl3FN4O — CID 162650698

IUPACN-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)c(F)c2)[nH]1
InChIInChI=1S/C16H11Cl2FN4O.ClH/c17-10-3-9(4-11(18)6-10)15(24)22-13-2-1-8(5-12(13)19)14-7-21-16(20)23-14;/h1-7H,(H,22,24)(H3,20,21,23);1H
InChIKeyLDENTBMDBMKNKX-UHFFFAOYSA-N
MW401.66 g/mol
LogP4.78
Rot. Bonds3

About N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride

N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride (PubChem CID 162650698) has the molecular formula C16H12Cl3FN4O and a molecular weight of 401.66 g/mol. Its IUPAC name is N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
PubChem CID162650698
Molecular FormulaC16H12Cl3FN4O
Molecular Weight401.66 g/mol
Exact Mass400.01
IUPAC NameN-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)c(F)c2)[nH]1
InChIInChI=1S/C16H11Cl2FN4O.ClH/c17-10-3-9(4-11(18)6-10)15(24)22-13-2-1-8(5-12(13)19)14-7-21-16(20)23-14;/h1-7H,(H,22,24)(H3,20,21,23);1H
InChIKeyLDENTBMDBMKNKX-UHFFFAOYSA-N
XLogP4.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.66
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3,5-dibromobenzamide
CID 118711467
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 118711458
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
3-amino-N-(5-bromo-2,4-difluorophenyl)-5-chlorobenzamide
CID 102852308

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride (CID 162650698) is N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride is Cl.Nc1ncc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)c(F)c2)[nH]1.
What is the InChIKey of N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride?
The InChIKey is LDENTBMDBMKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O.ClH/c17-10-3-9(4-11(18)6-10)15(24)22-13-2-1-8(5-12(13)19)14-7-21-16(20)23-14;/h1-7H,(H,22,24)(H3,20,21,23);1H.
What are the key properties of N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride?
N-[4-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride has a molecular weight of 401.66 g/mol, XLogP of 4.78, 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)-2-fluorophenyl]-3,5-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 162650698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).