2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide

C18H14Cl2N4O — CID 109316980

IUPAC2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-14(20)3-2-4-15(11)23-18-21-10-9-16(24-18)17(25)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYXAWSBNZGMZOFP-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide

2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109316980) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
PubChem CID109316980
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14Cl2N4O/c1-11-14(20)3-2-4-15(11)23-18-21-10-9-16(24-18)17(25)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,22,25)(H,21,23,24)
InChIKeyYXAWSBNZGMZOFP-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

2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
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
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
2-(3-chloro-2-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299894
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109316733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide (CID 109316980) is 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is YXAWSBNZGMZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-14(20)3-2-4-15(11)23-18-21-10-9-16(24-18)17(25)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide?
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)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-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).