N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide

C17H19ClN4O2 — CID 167829363

IUPACN-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide
SMILESCCC(NC(=O)Nc1ccc(Cl)c(NC(C)=O)c1)c1ccncc1
InChIInChI=1S/C17H19ClN4O2/c1-3-15(12-6-8-19-9-7-12)22-17(24)21-13-4-5-14(18)16(10-13)20-11(2)23/h4-10,15H,3H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyKNVJMGOSKQFVIQ-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.97
Rot. Bonds5

About N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide

N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide (PubChem CID 167829363) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide
PubChem CID167829363
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide
SMILESCCC(NC(=O)Nc1ccc(Cl)c(NC(C)=O)c1)c1ccncc1
InChIInChI=1S/C17H19ClN4O2/c1-3-15(12-6-8-19-9-7-12)22-17(24)21-13-4-5-14(18)16(10-13)20-11(2)23/h4-10,15H,3H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyKNVJMGOSKQFVIQ-UHFFFAOYSA-N
XLogP3.97
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 96517986
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
1-[1-(4-butan-2-ylphenyl)propyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087769
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899569
N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
CID 71870372
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide (CID 167829363) is N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide is CCC(NC(=O)Nc1ccc(Cl)c(NC(C)=O)c1)c1ccncc1.
What is the InChIKey of N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The InChIKey is KNVJMGOSKQFVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-3-15(12-6-8-19-9-7-12)22-17(24)21-13-4-5-14(18)16(10-13)20-11(2)23/h4-10,15H,3H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide?
N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 167829363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).