2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide

C18H14Cl2N4O — CID 109316704

IUPAC2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-12(19)6-4-8-14(11)22-17(25)16-9-10-21-18(24-16)23-15-7-3-2-5-13(15)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyNIMGGMDZWLWOFA-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109316704) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109316704
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-12(19)6-4-8-14(11)22-17(25)16-9-10-21-18(24-16)23-15-7-3-2-5-13(15)20/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyNIMGGMDZWLWOFA-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
N-(3-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109317094
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
2-(2-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316757
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide (CID 109316704) is 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is NIMGGMDZWLWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-12(19)6-4-8-14(11)22-17(25)16-9-10-21-18(24-16)23-15-7-3-2-5-13(15)20/h2-10H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).