N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide

C15H16ClNO3 — CID 122377688

IUPACN-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide
SMILESCCCCNC(=O)c1c(Cl)c(O)c2ccccc2c1O
InChIInChI=1S/C15H16ClNO3/c1-2-3-8-17-15(20)11-12(16)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,18-19H,2-3,8H2,1H3,(H,17,20)
InChIKeyCLAKSTXMKOCSKK-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.43
Rot. Bonds4

About N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide

N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide (PubChem CID 122377688) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide
PubChem CID122377688
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide
SMILESCCCCNC(=O)c1c(Cl)c(O)c2ccccc2c1O
InChIInChI=1S/C15H16ClNO3/c1-2-3-8-17-15(20)11-12(16)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,18-19H,2-3,8H2,1H3,(H,17,20)
InChIKeyCLAKSTXMKOCSKK-UHFFFAOYSA-N
XLogP3.43
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
CID 46892802
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
N-butylquinazoline-4-carboxamide
CID 110702643
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
CID 23456855
2-chloro-N-undecylbenzamide
CID 3373978
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonic acid
CID 3709167
7-amino-N-butyl-3-chloro-1-benzothiophene-2-carboxamide
CID 28693866
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide?
The IUPAC name of N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide (CID 122377688) is N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide is CCCCNC(=O)c1c(Cl)c(O)c2ccccc2c1O.
What is the InChIKey of N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide?
The InChIKey is CLAKSTXMKOCSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-2-3-8-17-15(20)11-12(16)14(19)10-7-5-4-6-9(10)13(11)18/h4-7,18-19H,2-3,8H2,1H3,(H,17,20).
What are the key properties of N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide?
N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-1,4-dihydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 122377688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).