N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide

C18H17Cl2N3O2 — CID 2812226

IUPACN-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C18H17Cl2N3O2/c19-12-7-13(20)9-14(8-12)22-18(25)23-16-4-2-1-3-15(16)17(24)21-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24)(H2,22,23,25)
InChIKeyKIWNJCIOUUMATH-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.78
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide

N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide (PubChem CID 2812226) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
PubChem CID2812226
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NCC1CC1
InChIInChI=1S/C18H17Cl2N3O2/c19-12-7-13(20)9-14(8-12)22-18(25)23-16-4-2-1-3-15(16)17(24)21-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24)(H2,22,23,25)
InChIKeyKIWNJCIOUUMATH-UHFFFAOYSA-N
XLogP4.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide (CID 2812226) is N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide?
The InChIKey is KIWNJCIOUUMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-12-7-13(20)9-14(8-12)22-18(25)23-16-4-2-1-3-15(16)17(24)21-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide?
N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide has a molecular weight of 378.26 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3,5-dichlorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 2812226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).