4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide

C17H13ClN2O2 — CID 145215535

IUPAC4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESNc1c(O)c(C(=O)Nc2cccc(Cl)c2)cc2ccccc12
InChIInChI=1S/C17H13ClN2O2/c18-11-5-3-6-12(9-11)20-17(22)14-8-10-4-1-2-7-13(10)15(19)16(14)21/h1-9,21H,19H2,(H,20,22)
InChIKeySHSRDJCQOKVGJH-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.03
Rot. Bonds2

About 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide

4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 145215535) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID145215535
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
SMILESNc1c(O)c(C(=O)Nc2cccc(Cl)c2)cc2ccccc12
InChIInChI=1S/C17H13ClN2O2/c18-11-5-3-6-12(9-11)20-17(22)14-8-10-4-1-2-7-13(10)15(19)16(14)21/h1-9,21H,19H2,(H,20,22)
InChIKeySHSRDJCQOKVGJH-UHFFFAOYSA-N
XLogP4.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
CID 145160136
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
N-(3-chlorophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 19022893
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
CID 23941378
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-[2-[(3-chlorophenyl)carbamoyl]phenyl]acetate
CID 7009272

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide (CID 145215535) is 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide is Nc1c(O)c(C(=O)Nc2cccc(Cl)c2)cc2ccccc12.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is SHSRDJCQOKVGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-11-5-3-6-12(9-11)20-17(22)14-8-10-4-1-2-7-13(10)15(19)16(14)21/h1-9,21H,19H2,(H,20,22).
What are the key properties of 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide?
4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 145215535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).