N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide

C13H9Cl3N2O — CID 87864871

IUPACN-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide
SMILESO=CN(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-9-1-3-10(4-2-9)17-18(8-19)11-5-6-12(15)13(16)7-11/h1-8,17H
InChIKeySVRBQPMSERGSMV-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.64
Rot. Bonds4

About N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide

N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide (PubChem CID 87864871) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide.

Molecular Properties

Compound NameN-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide
PubChem CID87864871
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC NameN-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide
SMILESO=CN(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-9-1-3-10(4-2-9)17-18(8-19)11-5-6-12(15)13(16)7-11/h1-8,17H
InChIKeySVRBQPMSERGSMV-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-chlorophenyl)formamide
CID 7096120
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
CID 14796735
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
(2S,3S,4S,5R,6R)-6-[3,4-dichloro-N-[(4-chlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 6455434
(2S,3S,4S,5R)-6-[3,4-dichloro-N-[(4-chlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 118753093
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
methane;1,2,4-trichlorobenzene
CID 157397102
4-chloro-N-methylaniline;propanal
CID 142927020
(3,4-dichlorophenyl)hydrazine;ethane
CID 143531721

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide?
The IUPAC name of N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide (CID 87864871) is N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide.
What is the SMILES notation for N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide?
The canonical SMILES for N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide is O=CN(Nc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide?
The InChIKey is SVRBQPMSERGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-9-1-3-10(4-2-9)17-18(8-19)11-5-6-12(15)13(16)7-11/h1-8,17H.
What are the key properties of N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide?
N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide has a molecular weight of 315.59 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroanilino)-N-(3,4-dichlorophenyl)formamide is sourced from PubChem (CID 87864871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).