N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide

C16H12ClFN6O3 — CID 71791110

IUPACN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
SMILESNC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1=O
InChIInChI=1S/C16H12ClFN6O3/c17-13-7-9(18)1-6-12(13)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26)
InChIKeyIAEZJVHFIOUKST-UHFFFAOYSA-N
MW390.76 g/mol
LogP0.96
Rot. Bonds5

About N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide (PubChem CID 71791110) has the molecular formula C16H12ClFN6O3 and a molecular weight of 390.76 g/mol. Its IUPAC name is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
PubChem CID71791110
Molecular FormulaC16H12ClFN6O3
Molecular Weight390.76 g/mol
Exact Mass390.06
IUPAC NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
SMILESNC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1=O
InChIInChI=1S/C16H12ClFN6O3/c17-13-7-9(18)1-6-12(13)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26)
InChIKeyIAEZJVHFIOUKST-UHFFFAOYSA-N
XLogP0.96
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.76
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
CID 71791093
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 71791091
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
CID 156506917
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2-[4-[4-[(2-benzylsulfanylacetyl)amino]phenyl]-5-oxotetrazol-1-yl]acetamide
CID 71791099
2-chloro-4-fluoro-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
CID 50946377
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
CID 71791101
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-4-fluoro-N-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]benzamide
CID 172888663

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide (CID 71791110) is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide is NC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)c1=O.
What is the InChIKey of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide?
The InChIKey is IAEZJVHFIOUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN6O3/c17-13-7-9(18)1-6-12(13)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26).
What are the key properties of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide?
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide has a molecular weight of 390.76 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 71791110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).