4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide

C19H22ClNO2 — CID 18354763

IUPAC4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(OCCCCl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)21-19(22)17-6-4-15(5-7-17)16-8-10-18(11-9-16)23-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVPZBGRGWRHGBLB-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.50
Rot. Bonds7

About 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide

4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide (PubChem CID 18354763) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide
PubChem CID18354763
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(OCCCCl)cc2)cc1
InChIInChI=1S/C19H22ClNO2/c1-14(2)21-19(22)17-6-4-15(5-7-17)16-8-10-18(11-9-16)23-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyVPZBGRGWRHGBLB-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butoxyphenyl)-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 4274925
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
ethyl (2R,3R)-2-[(4-butoxybenzoyl)amino]-3-hydroxybutanoate
CID 95635789
4-chloro-N-propan-2-ylbenzamide
CID 24045
methyl 4-[[[4-[4-(3-methoxypropoxy)phenyl]benzoyl]amino]carbamoyl]benzoate
CID 20655642
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide (CID 18354763) is 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2ccc(OCCCCl)cc2)cc1.
What is the InChIKey of 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide?
The InChIKey is VPZBGRGWRHGBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14(2)21-19(22)17-6-4-15(5-7-17)16-8-10-18(11-9-16)23-13-3-12-20/h4-11,14H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide?
4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide has a molecular weight of 331.84 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 18354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).