N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide

C15H16ClN7O — CID 169344602

IUPACN-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC=C(C#N)c2nn[nH]n2)cc1Cl
InChIInChI=1S/C15H16ClN7O/c1-2-3-4-14(24)19-13-6-5-11(7-12(13)16)18-9-10(8-17)15-20-22-23-21-15/h5-7,9,18H,2-4H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyQFCDOYDDPIYREW-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.96
Rot. Bonds7

About N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide

N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide (PubChem CID 169344602) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
PubChem CID169344602
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC NameN-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC=C(C#N)c2nn[nH]n2)cc1Cl
InChIInChI=1S/C15H16ClN7O/c1-2-3-4-14(24)19-13-6-5-11(7-12(13)16)18-9-10(8-17)15-20-22-23-21-15/h5-7,9,18H,2-4H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyQFCDOYDDPIYREW-UHFFFAOYSA-N
XLogP2.96
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide
CID 169345200
N-[2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-methylphenyl]pentanamide
CID 169343117
N-[2-chloro-4-(2,2-dicyanoethenylamino)phenyl]pentanamide
CID 168543326
5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-(methylamino)benzonitrile
CID 169346229
methyl N-[4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]carbamate
CID 169346343
5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 169344364
3-[3-chloro-4-(4-methoxyphenoxy)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169345191
3-(3,4-dimethoxyanilino)-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169342114
2,4-dichloro-N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]benzamide
CID 169344301
3-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169343165
3-[3-(3,4-dichlorophenyl)anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169344292
N-[3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]-2-phenylacetamide
CID 169343177

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The IUPAC name of N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide (CID 169344602) is N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide.
What is the SMILES notation for N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The canonical SMILES for N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(NC=C(C#N)c2nn[nH]n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
The InChIKey is QFCDOYDDPIYREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c1-2-3-4-14(24)19-13-6-5-11(7-12(13)16)18-9-10(8-17)15-20-22-23-21-15/h5-7,9,18H,2-4H2,1H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide?
N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide has a molecular weight of 345.79 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]phenyl]pentanamide is sourced from PubChem (CID 169344602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).