N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

C19H22ClN3O2 — CID 55648297

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)21-19(25)22-17-9-5-7-15(11-17)18(24)23(3)12-14-6-4-8-16(20)10-14/h4-11,13H,12H2,1-3H3,(H2,21,22,25)
InChIKeyIRWNGSRDIDQTMU-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide

N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55648297) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55648297
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)21-19(25)22-17-9-5-7-15(11-17)18(24)23(3)12-14-6-4-8-16(20)10-14/h4-11,13H,12H2,1-3H3,(H2,21,22,25)
InChIKeyIRWNGSRDIDQTMU-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833634
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 78894069
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821646
N-benzyl-N-butan-2-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 56536452
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 38623146
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide (CID 55648297) is N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)N(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is IRWNGSRDIDQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)21-19(25)22-17-9-5-7-15(11-17)18(24)23(3)12-14-6-4-8-16(20)10-14/h4-11,13H,12H2,1-3H3,(H2,21,22,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide?
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 359.86 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55648297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).