6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide

C17H11Cl2N3O — CID 67218711

IUPAC6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2N3O/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-12-4-2-1-3-5-12/h1-10H,(H,22,23)
InChIKeyIUONWXKTJPXWCF-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.70
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide (PubChem CID 67218711) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide
PubChem CID67218711
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C17H11Cl2N3O/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-12-4-2-1-3-5-12/h1-10H,(H,22,23)
InChIKeyIUONWXKTJPXWCF-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine-4-carboxamide, 65
CID 44520946
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 2819595
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
3,4-dichloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027211
6-(3,4-Dichlorophenyl)-N-(phenylsulfonyl)pyrimidine-4-carboxamide
CID 71282805
5-(6-Aminopyrimidin-4-yl)-3-(5-chloro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 90034382
N-{1-({2-[(4-chlorophenyl)methylene]hydrazino}carbonyl)-2-[(4-methyl-2-pyrimidinyl)amino]vinyl}benzenecarboxamide
CID 9582020
4-[4-(4-Chlorophenyl)pyrimidin-2-yl]benzamide
CID 27126517
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6-phenylpyrimidine-4-carboxamide;hydrochloride
CID 52947968
2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide
CID 56658189

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide (CID 67218711) is 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IUONWXKTJPXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c18-13-7-6-11(8-14(13)19)15-9-16(21-10-20-15)17(23)22-12-4-2-1-3-5-12/h1-10H,(H,22,23).
What are the key properties of 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 344.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 67218711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).