N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide

C15H22ClNO2 — CID 106244057

IUPACN-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
SMILESCOCC(Cl)CCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22ClNO2/c1-11(2)12-4-6-13(7-5-12)15(18)17-9-8-14(16)10-19-3/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyGINMWBIGSJQPMK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.18
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide

N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide (PubChem CID 106244057) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
PubChem CID106244057
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
SMILESCOCC(Cl)CCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22ClNO2/c1-11(2)12-4-6-13(7-5-12)15(18)17-9-8-14(16)10-19-3/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)
InChIKeyGINMWBIGSJQPMK-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-4-methylsulfanylbenzamide
CID 114163276
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
N-(3-chloro-4-methoxybutyl)-5-iodothiophene-3-carboxamide
CID 106244389
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide (CID 106244057) is N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide is COCC(Cl)CCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide?
The InChIKey is GINMWBIGSJQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)12-4-6-13(7-5-12)15(18)17-9-8-14(16)10-19-3/h4-7,11,14H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide?
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide has a molecular weight of 283.80 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 106244057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).