N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide

C18H18Cl2N2O2 — CID 1115971

IUPACN-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-3-7-13(8-4-11)17(23)21-16(15(19)20)22-18(24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFJAQTJIVEOPMKJ-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.59
Rot. Bonds5

About N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide

N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide (PubChem CID 1115971) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
PubChem CID1115971
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-11-3-7-13(8-4-11)17(23)21-16(15(19)20)22-18(24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFJAQTJIVEOPMKJ-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-2,2-dichloro-1-[(2-phenylacetyl)amino]ethyl]-4-methylbenzamide
CID 98209072
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
N-[(1R)-2,2-dichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]-4-methylbenzamide
CID 124631829
N-[(1S)-2,2-dichloro-1-(4-methylphenyl)sulfonylethyl]-4-methylbenzamide
CID 98328936
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
methyl 2-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]sulfanylacetate
CID 45142517
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethyl]-4-methylbenzamide
CID 45142516
N-[2,2-dichloro-1-(methylamino)ethyl]benzamide
CID 10868605

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide (CID 1115971) is N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1.
What is the InChIKey of N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is FJAQTJIVEOPMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-3-7-13(8-4-11)17(23)21-16(15(19)20)22-18(24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide?
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 1115971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).