N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide

C15H15ClN4O2 — CID 47049468

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN4O2/c1-10-17-7-6-13(20-10)15(22)19-9-8-18-14(21)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyWUOKUJFBVWWKMY-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.60
Rot. Bonds5

About N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 47049468) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID47049468
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nccc(C(=O)NCCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C15H15ClN4O2/c1-10-17-7-6-13(20-10)15(22)19-9-8-18-14(21)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyWUOKUJFBVWWKMY-UHFFFAOYSA-N
XLogP1.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47061417
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 133313845
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
CID 74234317
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
CID 119278708
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
2-chloro-N-[2-[(4-ethyl-5-methylpyrimidin-2-yl)amino]ethyl]benzamide
CID 126429871
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide (CID 47049468) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nccc(C(=O)NCCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is WUOKUJFBVWWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-10-17-7-6-13(20-10)15(22)19-9-8-18-14(21)11-4-2-3-5-12(11)16/h2-7H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 47049468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).