[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone

C24H24ClNO3 — CID 22174459

IUPAC[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCCC(O)OCc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C24H24ClNO3/c1-3-23(27)29-15-17-9-5-7-11-22(17)26-18-12-13-20(21(25)14-18)24(28)19-10-6-4-8-16(19)2/h4-14,23,26-27H,3,15H2,1-2H3
InChIKeyDKJIUJHTNBFOHT-UHFFFAOYSA-N
MW409.91 g/mol
LogP5.87
Rot. Bonds8

About [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone

[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone (PubChem CID 22174459) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
PubChem CID22174459
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
SMILESCCC(O)OCc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
InChIInChI=1S/C24H24ClNO3/c1-3-23(27)29-15-17-9-5-7-11-22(17)26-18-12-13-20(21(25)14-18)24(28)19-10-6-4-8-16(19)2/h4-14,23,26-27H,3,15H2,1-2H3
InChIKeyDKJIUJHTNBFOHT-UHFFFAOYSA-N
XLogP5.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 10294143
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[4-[4-bromo-2-(2-hydroxyethoxymethyl)anilino]-2-chlorophenyl]-(2-methylphenyl)methanone;[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 158598925
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
N-[[2-chloro-4-(2-ethylanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
CID 85073870
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
4-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]imino-4-ethoxy-2-(2-methoxyethoxy)butanoic acid
CID 174474099
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The IUPAC name of [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone (CID 22174459) is [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone is CCC(O)OCc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone?
The InChIKey is DKJIUJHTNBFOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-3-23(27)29-15-17-9-5-7-11-22(17)26-18-12-13-20(21(25)14-18)24(28)19-10-6-4-8-16(19)2/h4-14,23,26-27H,3,15H2,1-2H3.
What are the key properties of [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone?
[2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone has a molecular weight of 409.91 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[2-(1-hydroxypropoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 22174459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).