3-chlorobenzoic acid;diphenylmethanamine

C20H18ClNO2 — CID 3075097

IUPAC3-chlorobenzoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H13N.C7H5ClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-3-1-2-5(4-6)7(9)10/h1-10,13H,14H2;1-4H,(H,9,10)
InChIKeyYTKGEFYSQBUWCP-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.77
Rot. Bonds3

About 3-chlorobenzoic acid;diphenylmethanamine

3-chlorobenzoic acid;diphenylmethanamine (PubChem CID 3075097) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 3-chlorobenzoic acid;diphenylmethanamine.

Molecular Properties

Compound Name3-chlorobenzoic acid;diphenylmethanamine
PubChem CID3075097
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name3-chlorobenzoic acid;diphenylmethanamine
SMILESNC(c1ccccc1)c1ccccc1.O=C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H13N.C7H5ClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-3-1-2-5(4-6)7(9)10/h1-10,13H,14H2;1-4H,(H,9,10)
InChIKeyYTKGEFYSQBUWCP-UHFFFAOYSA-N
XLogP4.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzoic acid;diphenylmethanamine?
The IUPAC name of 3-chlorobenzoic acid;diphenylmethanamine (CID 3075097) is 3-chlorobenzoic acid;diphenylmethanamine.
What is the SMILES notation for 3-chlorobenzoic acid;diphenylmethanamine?
The canonical SMILES for 3-chlorobenzoic acid;diphenylmethanamine is NC(c1ccccc1)c1ccccc1.O=C(O)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzoic acid;diphenylmethanamine?
The InChIKey is YTKGEFYSQBUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C7H5ClO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-6-3-1-2-5(4-6)7(9)10/h1-10,13H,14H2;1-4H,(H,9,10).
What are the key properties of 3-chlorobenzoic acid;diphenylmethanamine?
3-chlorobenzoic acid;diphenylmethanamine has a molecular weight of 339.82 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzoic acid;diphenylmethanamine is sourced from PubChem (CID 3075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).