N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide

C23H22ClN3O3 — CID 60556484

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C23H22ClN3O3/c1-15(16-10-12-18(13-11-16)27-23(25)29)26-22(28)19-7-3-5-9-21(19)30-14-17-6-2-4-8-20(17)24/h2-13,15H,14H2,1H3,(H,26,28)(H3,25,27,29)
InChIKeyNHDUFXOUEIXRBI-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.90
Rot. Bonds7

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 60556484) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide
PubChem CID60556484
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C23H22ClN3O3/c1-15(16-10-12-18(13-11-16)27-23(25)29)26-22(28)19-7-3-5-9-21(19)30-14-17-6-2-4-8-20(17)24/h2-13,15H,14H2,1H3,(H,26,28)(H3,25,27,29)
InChIKeyNHDUFXOUEIXRBI-UHFFFAOYSA-N
XLogP4.90
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
N-(3-amino-2-methylpropyl)-2-[(2-chlorophenyl)methoxy]benzamide;hydrochloride
CID 119997645
2-[(2-chlorophenyl)methoxy]-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 60530434
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
2-[(4-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55433083
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
N-[1-(4-tert-butylphenyl)ethyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 132666759
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide (CID 60556484) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide is CC(NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is NHDUFXOUEIXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-15(16-10-12-18(13-11-16)27-23(25)29)26-22(28)19-7-3-5-9-21(19)30-14-17-6-2-4-8-20(17)24/h2-13,15H,14H2,1H3,(H,26,28)(H3,25,27,29).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 423.90 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 60556484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).