[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone

C19H21ClN2O — CID 59778728

IUPAC[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2)cc1NC1CCCCC1
InChIInChI=1S/C19H21ClN2O/c20-15-9-6-13(7-10-15)19(23)14-8-11-17(21)18(12-14)22-16-4-2-1-3-5-16/h6-12,16,22H,1-5,21H2
InChIKeyWDGFLLLYEPGDLB-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.90
Rot. Bonds4

About [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone

[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone (PubChem CID 59778728) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone
PubChem CID59778728
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2)cc1NC1CCCCC1
InChIInChI=1S/C19H21ClN2O/c20-15-9-6-13(7-10-15)19(23)14-8-11-17(21)18(12-14)22-16-4-2-1-3-5-16/h6-12,16,22H,1-5,21H2
InChIKeyWDGFLLLYEPGDLB-UHFFFAOYSA-N
XLogP4.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-amino-4-(cyclooctylamino)benzoic acid
CID 54887805
N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-propan-2-ylbenzamide
CID 50881614
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
N-[4-amino-2-chloro-5-(cyclohexylamino)phenyl]-4-methoxybenzamide
CID 50881773
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone (CID 59778728) is [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone is Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1NC1CCCCC1.
What is the InChIKey of [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone?
The InChIKey is WDGFLLLYEPGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-15-9-6-13(7-10-15)19(23)14-8-11-17(21)18(12-14)22-16-4-2-1-3-5-16/h6-12,16,22H,1-5,21H2.
What are the key properties of [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone?
[4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone has a molecular weight of 328.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(cyclohexylamino)phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 59778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).