N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide

C18H17Cl2N3O2 — CID 24587152

IUPACN-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide
SMILESCc1cc(Cl)c(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(Cl)n1
InChIInChI=1S/C18H17Cl2N3O2/c1-10-8-15(19)14(17(20)21-10)9-16(24)22-12-4-2-11(3-5-12)18(25)23-13-6-7-13/h2-5,8,13H,6-7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyMYONDAQBEMQSBN-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.77
Rot. Bonds5

About N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide

N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide (PubChem CID 24587152) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide
PubChem CID24587152
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide
SMILESCc1cc(Cl)c(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(Cl)n1
InChIInChI=1S/C18H17Cl2N3O2/c1-10-8-15(19)14(17(20)21-10)9-16(24)22-12-4-2-11(3-5-12)18(25)23-13-6-7-13/h2-5,8,13H,6-7,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyMYONDAQBEMQSBN-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 39977118
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclopropyl-4-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998042
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide (CID 24587152) is N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide is Cc1cc(Cl)c(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(Cl)n1.
What is the InChIKey of N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide?
The InChIKey is MYONDAQBEMQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-10-8-15(19)14(17(20)21-10)9-16(24)22-12-4-2-11(3-5-12)18(25)23-13-6-7-13/h2-5,8,13H,6-7,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide?
N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide has a molecular weight of 378.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]benzamide is sourced from PubChem (CID 24587152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).