N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide

C24H17ClN2O3 — CID 54510181

IUPACN-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2)c(Cl)c1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C24H17ClN2O3/c25-22-14-19(9-11-21(22)24(30)26-18-4-2-1-3-5-18)27-23(29)17-7-6-16-13-20(28)10-8-15(16)12-17/h1-14,28H,(H,26,30)(H,27,29)
InChIKeyRAVXOKUUBMORGT-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.70
Rot. Bonds4

About N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide (PubChem CID 54510181) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
PubChem CID54510181
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC NameN-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccccc2)c(Cl)c1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C24H17ClN2O3/c25-22-14-19(9-11-21(22)24(30)26-18-4-2-1-3-5-18)27-23(29)17-7-6-16-13-20(28)10-8-15(16)12-17/h1-14,28H,(H,26,30)(H,27,29)
InChIKeyRAVXOKUUBMORGT-UHFFFAOYSA-N
XLogP5.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 61398494
N-(4-bromophenyl)-6-hydroxynaphthalene-2-carboxamide
CID 118728727
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
[4-[[3-[4-[(6-hydroxynaphthalene-2-carbonyl)amino]phenoxy]carbonylbenzoyl]amino]phenyl] 6-hydroxynaphthalene-2-carboxylate
CID 58445021
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide (CID 54510181) is N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccccc2)c(Cl)c1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide?
The InChIKey is RAVXOKUUBMORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c25-22-14-19(9-11-21(22)24(30)26-18-4-2-1-3-5-18)27-23(29)17-7-6-16-13-20(28)10-8-15(16)12-17/h1-14,28H,(H,26,30)(H,27,29).
What are the key properties of N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide?
N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide has a molecular weight of 416.86 g/mol, XLogP of 5.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 54510181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).