1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol

C14H13ClN2O3 — CID 153374065

IUPAC1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
SMILESCC(O)N(c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O3/c1-10(18)16(12-5-3-2-4-6-12)13-8-7-11(15)9-14(13)17(19)20/h2-10,18H,1H3
InChIKeyDXZWVZWJPRGVHE-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.72
Rot. Bonds4

About 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol

1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol (PubChem CID 153374065) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol.

Molecular Properties

Compound Name1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
PubChem CID153374065
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
SMILESCC(O)N(c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13ClN2O3/c1-10(18)16(12-5-3-2-4-6-12)13-8-7-11(15)9-14(13)17(19)20/h2-10,18H,1H3
InChIKeyDXZWVZWJPRGVHE-UHFFFAOYSA-N
XLogP3.72
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 53401332
N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide
CID 135083420
4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
2-(4-chloro-N-ethyl-2-nitroanilino)-2-methylpropanoic acid
CID 62819612
2-(4-chloro-N-ethyl-2-nitroanilino)acetic acid
CID 54900140
5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 844836
N-(5-chloro-2-nitrophenyl)-N-phenylnitrous amide
CID 175678990
methyl 3-(4-chloro-N-methyl-2-nitroanilino)-2-methylpropanoate
CID 62005975
N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
CID 73447778
4-(4-chloro-N-methyl-2-nitroanilino)butanoic acid
CID 43329711
5-chloro-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7282605

Frequently Asked Questions

What is the IUPAC name of 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol?
The IUPAC name of 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol (CID 153374065) is 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol.
What is the SMILES notation for 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol?
The canonical SMILES for 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol is CC(O)N(c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol?
The InChIKey is DXZWVZWJPRGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-10(18)16(12-5-3-2-4-6-12)13-8-7-11(15)9-14(13)17(19)20/h2-10,18H,1H3.
What are the key properties of 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol?
1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol has a molecular weight of 292.72 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol is sourced from PubChem (CID 153374065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).