N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide

C23H21ClN2O3 — CID 70575711

IUPACN-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-15-5-3-4-6-21(15)22(27)26-23(28)25-19-11-7-17(8-12-19)16(2)29-20-13-9-18(24)10-14-20/h3-14,16H,1-2H3,(H2,25,26,27,28)
InChIKeyZQJVDQNYIPVRBK-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.75
Rot. Bonds5

About N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide

N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide (PubChem CID 70575711) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
PubChem CID70575711
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(=O)Nc1ccc(C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-15-5-3-4-6-21(15)22(27)26-23(28)25-19-11-7-17(8-12-19)16(2)29-20-13-9-18(24)10-14-20/h3-14,16H,1-2H3,(H2,25,26,27,28)
InChIKeyZQJVDQNYIPVRBK-UHFFFAOYSA-N
XLogP5.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-(1-phenoxyethyl)phenyl]carbamoyl]benzamide
CID 70577786
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556
3-chloro-N-[[4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]pyridine-4-carboxamide
CID 20524484
2-methyl-N-[[4-(1-phenylpropoxy)phenyl]carbamoyl]benzamide
CID 20524502
N-[[4-[cyano(phenyl)methoxy]phenyl]carbamoyl]-2-methylbenzamide
CID 20524365
N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
CID 13041497
2-chloro-N-[[4-[4-(4-chlorophenyl)sulfinyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654120
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
N-[(E)-1-(4-chlorophenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 40621986
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide?
The IUPAC name of N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide (CID 70575711) is N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(=O)Nc1ccc(C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide?
The InChIKey is ZQJVDQNYIPVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-5-3-4-6-21(15)22(27)26-23(28)25-19-11-7-17(8-12-19)16(2)29-20-13-9-18(24)10-14-20/h3-14,16H,1-2H3,(H2,25,26,27,28).
What are the key properties of N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide?
N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide has a molecular weight of 408.89 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-chlorophenoxy)ethyl]phenyl]carbamoyl]-2-methylbenzamide is sourced from PubChem (CID 70575711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).