N-(4-chloropentyl)-2-cyclopropylpropanamide

C11H20ClNO — CID 106129419

IUPACN-(4-chloropentyl)-2-cyclopropylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)C1CC1
InChIInChI=1S/C11H20ClNO/c1-8(12)4-3-7-13-11(14)9(2)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyYKYINHRGYDTPDR-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.56
Rot. Bonds6

About N-(4-chloropentyl)-2-cyclopropylpropanamide

N-(4-chloropentyl)-2-cyclopropylpropanamide (PubChem CID 106129419) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-cyclopropylpropanamide
PubChem CID106129419
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(4-chloropentyl)-2-cyclopropylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)C1CC1
InChIInChI=1S/C11H20ClNO/c1-8(12)4-3-7-13-11(14)9(2)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyYKYINHRGYDTPDR-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
CID 83151244
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(4-chloropentyl)-2-cyclopropylpropanamide (CID 106129419) is N-(4-chloropentyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(4-chloropentyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(4-chloropentyl)-2-cyclopropylpropanamide is CC(Cl)CCCNC(=O)C(C)C1CC1.
What is the InChIKey of N-(4-chloropentyl)-2-cyclopropylpropanamide?
The InChIKey is YKYINHRGYDTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-8(12)4-3-7-13-11(14)9(2)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloropentyl)-2-cyclopropylpropanamide?
N-(4-chloropentyl)-2-cyclopropylpropanamide has a molecular weight of 217.74 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 106129419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).