(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone

C16H16ClNO2 — CID 64915974

IUPAC(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9,18H2,1H3
InChIKeyCCNAFZVJVIMVRY-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.94
Rot. Bonds5

About (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone

(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone (PubChem CID 64915974) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
PubChem CID64915974
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9,18H2,1H3
InChIKeyCCNAFZVJVIMVRY-UHFFFAOYSA-N
XLogP3.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
propyl 2-amino-4-chlorobenzoate
CID 28690133
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone (CID 64915974) is (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is CCNAFZVJVIMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9,18H2,1H3.
What are the key properties of (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone?
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 289.76 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 64915974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).