N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide

C16H22ClNO — CID 114304884

IUPACN-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2C(C)Cl)CCCC1
InChIInChI=1S/C16H22ClNO/c1-3-16(10-6-7-11-16)15(19)18-14-9-5-4-8-13(14)12(2)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeySHJNNZBGBCVDIV-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.90
Rot. Bonds4

About N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide

N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide (PubChem CID 114304884) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide
PubChem CID114304884
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2C(C)Cl)CCCC1
InChIInChI=1S/C16H22ClNO/c1-3-16(10-6-7-11-16)15(19)18-14-9-5-4-8-13(14)12(2)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeySHJNNZBGBCVDIV-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
N-[2-(1-chloroethyl)phenyl]hexanamide
CID 114304795
1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
CID 106910485
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107184100
1-(3-methylbutyl)-N-[2-[[2-[[1-(3-methylbutyl)cyclopentanecarbonyl]amino]phenyl]disulfanyl]phenyl]cyclopentane-1-carboxamide
CID 11955309

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide (CID 114304884) is N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)Nc2ccccc2C(C)Cl)CCCC1.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide?
The InChIKey is SHJNNZBGBCVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-16(10-6-7-11-16)15(19)18-14-9-5-4-8-13(14)12(2)17/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide?
N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide has a molecular weight of 279.81 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 114304884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).