N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide

C14H20ClNO2 — CID 63391141

IUPACN-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(10-6-9-15)14(17)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyQTCWUIRGYNITSH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.17
Rot. Bonds6

About N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide

N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 63391141) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
PubChem CID63391141
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CCCCl)C(C)C
InChIInChI=1S/C14H20ClNO2/c1-11(2)16(10-6-9-15)14(17)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyQTCWUIRGYNITSH-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-amino-3-sulfanylidenepropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 54998473
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(3-chloropropyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 63390906
N-(3-chloropropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 63390608
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide (CID 63391141) is N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide is COc1ccccc1C(=O)N(CCCCl)C(C)C.
What is the InChIKey of N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is QTCWUIRGYNITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(2)16(10-6-9-15)14(17)12-7-4-5-8-13(12)18-3/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide?
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 63391141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).