N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide

C14H12ClN3O2 — CID 154425223

IUPACN-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide
SMILESCOC1=CC(NC(=O)c2ccccc2)=C(Cl)CC1=[N+]=[N-]
InChIInChI=1S/C14H12ClN3O2/c1-20-13-8-11(10(15)7-12(13)18-16)17-14(19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyDSDKZZYDFANVIJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.47
Rot. Bonds3

About N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide

N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide (PubChem CID 154425223) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide
PubChem CID154425223
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide
SMILESCOC1=CC(NC(=O)c2ccccc2)=C(Cl)CC1=[N+]=[N-]
InChIInChI=1S/C14H12ClN3O2/c1-20-13-8-11(10(15)7-12(13)18-16)17-14(19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyDSDKZZYDFANVIJ-UHFFFAOYSA-N
XLogP2.47
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-diazo-2,5-dipropoxycyclohexa-1,5-dien-1-yl)-4-methylbenzamide
CID 139703273
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
methyl benzoate azide
CID 161139797
N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
CID 50936931
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide?
The IUPAC name of N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide (CID 154425223) is N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide?
The canonical SMILES for N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide is COC1=CC(NC(=O)c2ccccc2)=C(Cl)CC1=[N+]=[N-].
What is the InChIKey of N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide?
The InChIKey is DSDKZZYDFANVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-20-13-8-11(10(15)7-12(13)18-16)17-14(19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide?
N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-diazo-5-methoxycyclohexa-1,5-dien-1-yl)benzamide is sourced from PubChem (CID 154425223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).