5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide

C19H17ClN4O2 — CID 108756608

IUPAC5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)ncn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-9-18(22-11-21-12)23-14-4-6-15(7-5-14)24-19(25)16-10-13(20)3-8-17(16)26-2/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyHVYPUSYYZSVTDN-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide

5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 108756608) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID108756608
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)ncn2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-9-18(22-11-21-12)23-14-4-6-15(7-5-14)24-19(25)16-10-13(20)3-8-17(16)26-2/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyHVYPUSYYZSVTDN-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-oxobutanamide
CID 108749437
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781556
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748451
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
4-(2-methoxyphenyl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-oxobutanamide
CID 108733242
5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
CID 121073894
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide (CID 108756608) is 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(C)ncn2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is HVYPUSYYZSVTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-9-18(22-11-21-12)23-14-4-6-15(7-5-14)24-19(25)16-10-13(20)3-8-17(16)26-2/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide?
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 108756608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).