N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide

C20H14ClN5O — CID 68576695

IUPACN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C20H14ClN5O/c21-16-8-9-17(20-23-25-26-24-20)18(12-16)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26)
InChIKeyCGZOSWPLTVPHKY-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.33
Rot. Bonds4

About N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide (PubChem CID 68576695) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
PubChem CID68576695
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C20H14ClN5O/c21-16-8-9-17(20-23-25-26-24-20)18(12-16)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26)
InChIKeyCGZOSWPLTVPHKY-UHFFFAOYSA-N
XLogP4.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide 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

(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 25064125
(E)-N-[5-chloro-2-(2H-tetrazol-5-ylmethoxy)phenyl]-3-naphthalen-2-ylprop-2-enamide;prop-1-ene
CID 143697600
(E)-3-[3,4-bis(hydroxymethyl)phenyl]-N-[2-(2H-tetrazol-5-yl)phenyl]prop-2-enamide
CID 89187960
4-chloro-N-methylsulfonyl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzamide
CID 25064762
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
(E)-3-(4-chlorophenyl)-N-(naphthalen-2-ylcarbamothioyl)prop-2-enamide
CID 17232261

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide (CID 68576695) is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide is O=C(C=Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The InChIKey is CGZOSWPLTVPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c21-16-8-9-17(20-23-25-26-24-20)18(12-16)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26).
What are the key properties of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide has a molecular weight of 375.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 68576695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).