3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide

C21H23ClN2O4 — CID 43058061

IUPAC3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-12(13-6-8-16(9-7-13)24-20(25)14-4-5-14)23-21(26)15-10-17(22)19(28-3)18(11-15)27-2/h6-12,14H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGSXBJGMROKKXHW-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.20
Rot. Bonds7

About 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide

3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide (PubChem CID 43058061) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
PubChem CID43058061
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1OC
InChIInChI=1S/C21H23ClN2O4/c1-12(13-6-8-16(9-7-13)24-20(25)14-4-5-14)23-21(26)15-10-17(22)19(28-3)18(11-15)27-2/h6-12,14H,4-5H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGSXBJGMROKKXHW-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 51323720
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
CID 45353412
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide (CID 43058061) is 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide is COc1cc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide?
The InChIKey is GSXBJGMROKKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-12(13-6-8-16(9-7-13)24-20(25)14-4-5-14)23-21(26)15-10-17(22)19(28-3)18(11-15)27-2/h6-12,14H,4-5H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide?
3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide has a molecular weight of 402.88 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 43058061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).