N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide

C20H20Cl2N4O3 — CID 121062566

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O3/c21-16-8-7-15(11-17(16)22)26-20(29)25-14-5-3-13(4-6-14)19(28)24-10-9-23-18(27)12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyRJDQTLLSFOWKNB-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide (PubChem CID 121062566) has the molecular formula C20H20Cl2N4O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
PubChem CID121062566
Molecular FormulaC20H20Cl2N4O3
Molecular Weight435.31 g/mol
Exact Mass434.09
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O3/c21-16-8-7-15(11-17(16)22)26-20(29)25-14-5-3-13(4-6-14)19(28)24-10-9-23-18(27)12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,23,27)(H,24,28)(H2,25,26,29)
InChIKeyRJDQTLLSFOWKNB-UHFFFAOYSA-N
XLogP3.89
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-5-nitrobenzamide
CID 121062477
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
1-(3,4-dichlorobenzoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 24717415
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062389
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide (CID 121062566) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide is O=C(Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide?
The InChIKey is RJDQTLLSFOWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3/c21-16-8-7-15(11-17(16)22)26-20(29)25-14-5-3-13(4-6-14)19(28)24-10-9-23-18(27)12-1-2-12/h3-8,11-12H,1-2,9-10H2,(H,23,27)(H,24,28)(H2,25,26,29).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide has a molecular weight of 435.31 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 121062566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).