N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

C20H23ClN2O3 — CID 55527750

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)19(25)23-16-6-4-5-14(13-16)18(24)22-11-12-26-17-9-7-15(21)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMDMMUYXUGOBHQJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 55527750) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID55527750
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O3/c1-20(2,3)19(25)23-16-6-4-5-14(13-16)18(24)22-11-12-26-17-9-7-15(21)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMDMMUYXUGOBHQJ-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamoylamino)-N-[2-(4-chlorophenoxy)ethyl]benzamide
CID 9297573
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
3-[2-(4-chlorophenoxy)ethylamino]benzoic acid
CID 82096042
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
N-[2-(4-chlorophenoxy)ethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 166192461
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 55527750) is N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is MDMMUYXUGOBHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-20(2,3)19(25)23-16-6-4-5-14(13-16)18(24)22-11-12-26-17-9-7-15(21)8-10-17/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 55527750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).