N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide

C18H18N4O3 — CID 33151643

IUPACN-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C18H18N4O3/c19-18(25)22-14-8-6-13(7-9-14)20-17(24)12-2-1-3-15(10-12)21-16(23)11-4-5-11/h1-3,6-11H,4-5H2,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyGJSYLVLKKWSZOV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide

N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 33151643) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
PubChem CID33151643
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C18H18N4O3/c19-18(25)22-14-8-6-13(7-9-14)20-17(24)12-2-1-3-15(10-12)21-16(23)11-4-5-11/h1-3,6-11H,4-5H2,(H,20,24)(H,21,23)(H3,19,22,25)
InChIKeyGJSYLVLKKWSZOV-UHFFFAOYSA-N
XLogP2.78
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-(4-cyclopentyloxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 46585132
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide (CID 33151643) is N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide is NC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is GJSYLVLKKWSZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-18(25)22-14-8-6-13(7-9-14)20-17(24)12-2-1-3-15(10-12)21-16(23)11-4-5-11/h1-3,6-11H,4-5H2,(H,20,24)(H,21,23)(H3,19,22,25).
What are the key properties of N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 338.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 33151643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).