N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide

C15H22ClN3O2 — CID 60852166

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-4-14(20)18-11-5-6-12(16)13(9-11)19-15(21)7-8-17-10(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIEUPKKMHDXNDEQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.02
Rot. Bonds7

About N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide

N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852166) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852166
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CCNC(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-4-14(20)18-11-5-6-12(16)13(9-11)19-15(21)7-8-17-10(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIEUPKKMHDXNDEQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide (CID 60852166) is N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)CCNC(C)C)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is IEUPKKMHDXNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-14(20)18-11-5-6-12(16)13(9-11)19-15(21)7-8-17-10(2)3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide?
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 311.81 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).