N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide

C14H20ClNO — CID 63393513

IUPACN-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
SMILESCCc1ccc(C(=O)N(CCCl)C(C)C)cc1
InChIInChI=1S/C14H20ClNO/c1-4-12-5-7-13(8-6-12)14(17)16(10-9-15)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyAAUNRFBNDACMGL-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.34
Rot. Bonds5

About N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide

N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide (PubChem CID 63393513) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
PubChem CID63393513
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
SMILESCCc1ccc(C(=O)N(CCCl)C(C)C)cc1
InChIInChI=1S/C14H20ClNO/c1-4-12-5-7-13(8-6-12)14(17)16(10-9-15)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyAAUNRFBNDACMGL-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
3-[ethyl-(4-ethylbenzoyl)amino]butanoic acid
CID 62821555
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
[4-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate
CID 4046636
[4-[[(4-ethylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate
CID 3421551
N-(3-chloropropyl)-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 63390980
N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide (CID 63393513) is N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide is CCc1ccc(C(=O)N(CCCl)C(C)C)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide?
The InChIKey is AAUNRFBNDACMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-12-5-7-13(8-6-12)14(17)16(10-9-15)11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide?
N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide has a molecular weight of 253.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 63393513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).