N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

C19H24ClNO2 — CID 3781827

IUPACN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3
InChIKeyHWMOIDSUNSVYSQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.11
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide

N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide (PubChem CID 3781827) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
PubChem CID3781827
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide
SMILESCC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3
InChIKeyHWMOIDSUNSVYSQ-UHFFFAOYSA-N
XLogP5.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 2843164
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
4-chloro-N-(furan-2-ylmethyl)benzamide
CID 720138
N-benzyl-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 2938128
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691
Ethyl 4-(4-chlorobenzyl)-1-(3-furoyl)-4-piperidinecarboxylate
CID 16191140
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137658868
3-(Furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 2964472
N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide
CID 3798987
3-(furan-2-yl)-3-phenyl-N,N-dipropylpropanamide
CID 3847276
(4-Chloro-2-methylphenyl)[1-(3-furoyl)piperidin-3-yl]methanone
CID 16188254

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide (CID 3781827) is N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide is CC(=O)N(CCC(c1ccco1)C(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
The InChIKey is HWMOIDSUNSVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-14(2)18(19-5-4-12-23-19)10-11-21(15(3)22)13-16-6-8-17(20)9-7-16/h4-9,12,14,18H,10-11,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide?
N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide has a molecular weight of 333.86 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]acetamide is sourced from PubChem (CID 3781827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).