N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide

C19H17ClN4O2 — CID 135772723

IUPACN-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide
SMILESNc1ccc2cccc(O)c2c1/N=N/c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C19H17ClN4O2/c20-11-10-17(26)22-13-5-7-14(8-6-13)23-24-19-15(21)9-4-12-2-1-3-16(25)18(12)19/h1-9,25H,10-11,21H2,(H,22,26)/b24-23+
InChIKeyZYSJEAAPHBPTPT-WCWDXBQESA-N
MW368.82 g/mol
LogP5.11
Rot. Bonds5

About N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide

N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide (PubChem CID 135772723) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide
PubChem CID135772723
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide
SMILESNc1ccc2cccc(O)c2c1/N=N/c1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C19H17ClN4O2/c20-11-10-17(26)22-13-5-7-14(8-6-13)23-24-19-15(21)9-4-12-2-1-3-16(25)18(12)19/h1-9,25H,10-11,21H2,(H,22,26)/b24-23+
InChIKeyZYSJEAAPHBPTPT-WCWDXBQESA-N
XLogP5.11
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-[[4-[[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]methyl]-6-chloro-1,3,5-triazin-2-yl]methyl]benzenesulfonic acid
CID 158494441
[8-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-7-hydroxynaphthalen-2-yl]-dimethylazanium
CID 143834307
[2-[4-[[4-(butanoylamino)phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium
CID 44604482
CID 170853974
CID 170853974
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-[4-(3-bromoprop-1-enyl)phenyl]-3-chloropropanamide
CID 169476328
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide?
The IUPAC name of N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide (CID 135772723) is N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide.
What is the SMILES notation for N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide?
The canonical SMILES for N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide is Nc1ccc2cccc(O)c2c1/N=N/c1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide?
The InChIKey is ZYSJEAAPHBPTPT-WCWDXBQESA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-11-10-17(26)22-13-5-7-14(8-6-13)23-24-19-15(21)9-4-12-2-1-3-16(25)18(12)19/h1-9,25H,10-11,21H2,(H,22,26)/b24-23+.
What are the key properties of N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide?
N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide has a molecular weight of 368.82 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-8-hydroxynaphthalen-1-yl)diazenyl]phenyl]-3-chloropropanamide is sourced from PubChem (CID 135772723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).