3-chloro-N-(4-propoxyphenyl)propanamide

C12H16ClNO2 — CID 62329515

IUPAC3-chloro-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyCWPBXONEYKCGKM-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.04
Rot. Bonds6

About 3-chloro-N-(4-propoxyphenyl)propanamide

3-chloro-N-(4-propoxyphenyl)propanamide (PubChem CID 62329515) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-propoxyphenyl)propanamide
PubChem CID62329515
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyCWPBXONEYKCGKM-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.04
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-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-propoxyphenyl)propanamide (CID 62329515) is 3-chloro-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-(4-propoxyphenyl)propanamide?
The InChIKey is CWPBXONEYKCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(4-propoxyphenyl)propanamide?
3-chloro-N-(4-propoxyphenyl)propanamide has a molecular weight of 241.72 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 62329515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).