4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide

C18H20ClNO — CID 43588600

IUPAC4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C18H20ClNO/c1-20(13-5-8-15-6-3-2-4-7-15)18(21)17-11-9-16(14-19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyXKMCMSVDGFPCDO-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.13
Rot. Bonds6

About 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide

4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide (PubChem CID 43588600) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
PubChem CID43588600
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
SMILESCN(CCCc1ccccc1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C18H20ClNO/c1-20(13-5-8-15-6-3-2-4-7-15)18(21)17-11-9-16(14-19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyXKMCMSVDGFPCDO-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide (CID 43588600) is 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide is CN(CCCc1ccccc1)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide?
The InChIKey is XKMCMSVDGFPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20(13-5-8-15-6-3-2-4-7-15)18(21)17-11-9-16(14-19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide?
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide has a molecular weight of 301.82 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 43588600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).