N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide

C19H19ClN2O2 — CID 31987516

IUPACN-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(12-13-2-8-16(20)9-3-13)19(24)15-6-10-17(11-7-15)21-18(23)14-4-5-14/h2-3,6-11,14H,4-5,12H2,1H3,(H,21,23)
InChIKeyDRGZHGROXZZTAC-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.96
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide (PubChem CID 31987516) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
PubChem CID31987516
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(12-13-2-8-16(20)9-3-13)19(24)15-6-10-17(11-7-15)21-18(23)14-4-5-14/h2-3,6-11,14H,4-5,12H2,1H3,(H,21,23)
InChIKeyDRGZHGROXZZTAC-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 36556294
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 44825559
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 36784446
4-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 60849621
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24601515

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide (CID 31987516) is N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
The InChIKey is DRGZHGROXZZTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22(12-13-2-8-16(20)9-3-13)19(24)15-6-10-17(11-7-15)21-18(23)14-4-5-14/h2-3,6-11,14H,4-5,12H2,1H3,(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide has a molecular weight of 342.83 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide is sourced from PubChem (CID 31987516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).