N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide

C14H20ClNO3 — CID 139895595

IUPACN-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-9-18-10-7-14(17)16-12-3-5-13(6-4-12)19-11-8-15/h3-6H,2,7-11H2,1H3,(H,16,17)
InChIKeyPNQWHYNODPLLDZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.06
Rot. Bonds9

About N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide

N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide (PubChem CID 139895595) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
PubChem CID139895595
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCl)cc1
InChIInChI=1S/C14H20ClNO3/c1-2-9-18-10-7-14(17)16-12-3-5-13(6-4-12)19-11-8-15/h3-6H,2,7-11H2,1H3,(H,16,17)
InChIKeyPNQWHYNODPLLDZ-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(4-butoxyphenyl)butanamide
CID 4939679
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483
N-(4-decoxyphenyl)butanamide
CID 143303175
2-[4-(3-ethoxypropanoylamino)phenoxy]acetic acid
CID 55242073
N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide
CID 86085485

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide (CID 139895595) is N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(OCCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide?
The InChIKey is PNQWHYNODPLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-2-9-18-10-7-14(17)16-12-3-5-13(6-4-12)19-11-8-15/h3-6H,2,7-11H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide?
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide has a molecular weight of 285.77 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 139895595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).