N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide

C17H24ClNO — CID 60948375

IUPACN-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCCCCl
InChIInChI=1S/C17H24ClNO/c1-14(16-10-11-16)19(17(20)9-5-6-12-18)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyCLRZORVDSQHMTB-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.22
Rot. Bonds8

About N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide

N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide (PubChem CID 60948375) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
PubChem CID60948375
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCCCCl
InChIInChI=1S/C17H24ClNO/c1-14(16-10-11-16)19(17(20)9-5-6-12-18)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyCLRZORVDSQHMTB-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.22
H-Bond Donors ≤ 50
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

N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
CID 55595511
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide?
The IUPAC name of N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide (CID 60948375) is N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide?
The canonical SMILES for N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CCCCCl.
What is the InChIKey of N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide?
The InChIKey is CLRZORVDSQHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-14(16-10-11-16)19(17(20)9-5-6-12-18)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide?
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide has a molecular weight of 293.84 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide is sourced from PubChem (CID 60948375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).