2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide

C21H28ClN5O3 — CID 87941220

IUPAC2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1c(OC)cc(NC(=O)Nc2ccccc2)c(Cl)c1N
InChIInChI=1S/C21H28ClN5O3/c1-4-27(5-2)12-11-24-20(28)17-16(30-3)13-15(18(22)19(17)23)26-21(29)25-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,23H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyWFIIWFQKQZLUEE-UHFFFAOYSA-N
MW433.94 g/mol
LogP3.65
Rot. Bonds9

About 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide

2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide (PubChem CID 87941220) has the molecular formula C21H28ClN5O3 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide
PubChem CID87941220
Molecular FormulaC21H28ClN5O3
Molecular Weight433.94 g/mol
Exact Mass433.19
IUPAC Name2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1c(OC)cc(NC(=O)Nc2ccccc2)c(Cl)c1N
InChIInChI=1S/C21H28ClN5O3/c1-4-27(5-2)12-11-24-20(28)17-16(30-3)13-15(18(22)19(17)23)26-21(29)25-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,23H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKeyWFIIWFQKQZLUEE-UHFFFAOYSA-N
XLogP3.65
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide 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

N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
CID 142817541
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
CID 39184918
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbamoylamino]benzamide
CID 42661965
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
N-[2-(diethylamino)ethyl]-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 4566951
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide (CID 87941220) is 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide is CCN(CC)CCNC(=O)c1c(OC)cc(NC(=O)Nc2ccccc2)c(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide?
The InChIKey is WFIIWFQKQZLUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O3/c1-4-27(5-2)12-11-24-20(28)17-16(30-3)13-15(18(22)19(17)23)26-21(29)25-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12,23H2,1-3H3,(H,24,28)(H2,25,26,29).
What are the key properties of 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide?
2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide has a molecular weight of 433.94 g/mol, XLogP of 3.65, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[2-(diethylamino)ethyl]-6-methoxy-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 87941220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).