4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide

C19H21ClN2O3 — CID 21350487

IUPAC4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide
SMILESC=C(C)C(=O)NCCCNC(=O)c1cc(Cl)c2c(C)cccc2c1O
InChIInChI=1S/C19H21ClN2O3/c1-11(2)18(24)21-8-5-9-22-19(25)14-10-15(20)16-12(3)6-4-7-13(16)17(14)23/h4,6-7,10,23H,1,5,8-9H2,2-3H3,(H,21,24)(H,22,25)
InChIKeyKYCNRLJAAYUFQQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.32
Rot. Bonds6

About 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide

4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide (PubChem CID 21350487) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide
PubChem CID21350487
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide
SMILESC=C(C)C(=O)NCCCNC(=O)c1cc(Cl)c2c(C)cccc2c1O
InChIInChI=1S/C19H21ClN2O3/c1-11(2)18(24)21-8-5-9-22-19(25)14-10-15(20)16-12(3)6-4-7-13(16)17(14)23/h4,6-7,10,23H,1,5,8-9H2,2-3H3,(H,21,24)(H,22,25)
InChIKeyKYCNRLJAAYUFQQ-UHFFFAOYSA-N
XLogP3.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
N-[3-(2,5-dimethylanilino)propyl]-2-methylprop-2-enamide
CID 68565424
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
1-hydroxy-5-methyl-N-[2-(prop-2-enoylamino)ethyl]naphthalene-2-carboxamide
CID 21350465
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
CID 23456855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide (CID 21350487) is 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide is C=C(C)C(=O)NCCCNC(=O)c1cc(Cl)c2c(C)cccc2c1O.
What is the InChIKey of 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is KYCNRLJAAYUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-11(2)18(24)21-8-5-9-22-19(25)14-10-15(20)16-12(3)6-4-7-13(16)17(14)23/h4,6-7,10,23H,1,5,8-9H2,2-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide?
4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-5-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 21350487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).